Vitas-M small molecule compound

6,7-dimethoxy-N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide

Catalog ID
STL535133
SMILES COc1cc2CCN(C(c2cc1OC)c1cc(OC)c(c(c1)OC)OC)C(=S)Nc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H30N2O5S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5S/c1-30-21-13-17-11-12-29(27(35)28-19-9-7-6-8-10-19)25(20(17)16-22(21)31-2)18-14-23(32-3)26(34-5)24(15-18)33-4/h6-10,13-16,25H,11-12H2,1-5H3,(H,28,35)
InChIKey
ASZKNBKZTSDJAH-UHFFFAOYSA-N
Synonyms
929858-24-2
16409042
67dimethoxy~(N)phenyl1(345trimethoxyphenyl)34dihydro1~(H)isoquinoline2carbothioamide
67dimethoxyNphenyl1(345trimethoxyphenyl)34dihydroisoquinoline2(1H)carbothioamide
929858242
InChI=1SC27H30N2O5Sc130211317111229(27(35)281997681019)25(20(17)1622(21)312)181423(323)26(345)24(1518)334h610131625H1112H215H3(H2835)
MFCD09842915
ZINC000008764936
ZINC000008764937

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.