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Chemical structure of NIR-797-isothiocyanat

GD18319

NIR-797-isothiocyanat

Also known as sodium 4-[2-[2-[3-[2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate

NIR-797-isothiocyanat (catalogue number GD18319) is a research-grade chemical available from LABO Scientific in Israel, CAS registry number 152111-91-6. Molecular formula C45H50N3NaO6S4, molecular weight 880.145. IUPAC name: sodium 4-[2-[2-[3-[2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate. Supplied in 3 pack sizes, from 5mg at ₪697.49 to 25mg at ₪2,202.61; the final price is confirmed on your quote, and the lot certificate of analysis and safety data sheet are emailed with your order confirmation.

ChemicalCAS152111-91-6MW880.145FormulaC45H50N3NaO6S4
CAS number
152111-91-6
Molecular weight
880.145
Formula
C45H50N3NaO6S4
InChIKey
URQBXUCJHTXMKS-UHFFFAOYSA-M
Catalogue number
GD18319
Brand
GLPBIO
Computed properties PubChem CID 71434044 · TPSA 207 Ų · H-bond donors 0 · H-bond acceptors 10
TPSA
207 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
59

SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)CCC3)SC6=CC=C(C=C6)N=C=S)CCCCS(=O)(=O)[O-])C.[Na+]

Computed descriptors from PubChem (CID 71434044), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.