Vitas-M small molecule compound
ethyl 6-cyano-2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK090135
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)OC)OC)sc2c1CCC(C2)(C#N)c1ccccc1
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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 C27H26N2O5S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S/c1-4-34-26(31)23-19-12-13-27(16-28,18-8-6-5-7-9-18)15-22(19)35-25(23)29-24(30)17-10-11-20(32-2)21(14-17)33-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,29,30)InChIKey
NVSXZNDODOVONL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)(C#N)C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)OC)OC
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)OC)OC)sc2c1CCC(C2)(C#N)c1ccccc1
ethyl6cyano2(((34dimethoxyphenyl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ETHYL6CYANO2((34DIMETHOXYBENZOYL)AMINO)6PHENYL57DIHYDRO4H1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC27H26N2O5Sc143426(31)2319121327(1628188657918)1522(19)3525(23)2924(30)17101120(322)21(1417)333h51114H4121315H213H3(H2930)
MFCD02642348
STK090135
ZINC000001123426
ZINC000001123428
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