Vitas-M small molecule compound
methyl 2-{[2-({2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}amino)-2-oxoethyl]sulfanyl}benzoate
Catalog ID
STK665784
SMILES COc1cc(Cc2nccc3c2cc(OC)c(c3)OC)c(cc1OC)NC(=O)CSc1ccccc1C(=O)OC
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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 C30H30N2O7S MW 562.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O7S/c1-35-24-13-18-10-11-31-23(21(18)15-26(24)37-3)12-19-14-25(36-2)27(38-4)16-22(19)32-29(33)17-40-28-9-7-6-8-20(28)30(34)39-5/h6-11,13-16H,12,17H2,1-5H3,(H,32,33)InChIKey
IEWJUWJPJGYOIH-UHFFFAOYSA-NSynonyms
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=CC=CC=C4C(=O)OC)OC)OC)OC
InChI=1SC30H30N2O7Sc13524131810113123(21(18)1526(24)373)12191425(362)27(384)1622(19)3229(33)174028976820(28)30(34)395h6111316H1217H215H3(H3233)
methyl2((2((2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)amino)2oxoethyl)sulfanyl)benzoate
METHYL2((N(2((67DIMETHOXYISOQUINOLYL)METHYL)45DIMETHOXYPHENYL)CARBAMOYL)METHYLTHIO)BENZOATE
methyl2(2(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyanilino)2oxoethyl)sulfanylbenzoate
MFCD12033950
ZINC000100241105
ZINC100241105
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