Vitas-M small molecule compound
ethyl 2-({[(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]acetyl}amino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK741289
SMILES CCOC(=O)c1c(NC(=O)CSc2cc(CCC)c(c3n2c2ccccc2n3)C#N)sc2c1CC(C)CC2
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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 C29H30N4O3S2 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S2/c1-4-8-18-14-25(33-22-10-7-6-9-21(22)31-27(33)20(18)15-30)37-16-24(34)32-28-26(29(35)36-5-2)19-13-17(3)11-12-23(19)38-28/h6-7,9-10,14,17H,4-5,8,11-13,16H2,1-3H3,(H,32,34)InChIKey
ZFDYJTWSTMISKU-UHFFFAOYSA-NSynonyms
862117-89-3862117893
CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=C(C5=C(S4)CCC(C5)C)C(=O)OCC)C#N
ethyl2((((4cyano3propylpyrido(12a)benzimidazol1yl)sulfanyl)acetyl)amino)5methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4cyano3propylpyrido(12a)benzimidazol1yl)sulfanylacetyl)amino)5methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((4cyano3propylbenzo(45)imidazo(12a)pyridin1yl)thio)acetamido)5methyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC29H30N4O3S2c148181425(33221076921(22)3127(33)20(18)1530)371624(34)322826(29(35)3652)191317(3)111223(19)3828h679101417H458111316H213H3(H3234)
MFCD05687249
ZINC000097954979
ZINC000097954980
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