Vitas-M small molecule compound
(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Catalog ID
STK570941
SMILES COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCC(C3)C)ccc1OCc1ccccc1
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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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-18-8-11-21-22(16-28)27(33-25(21)14-18)29-26(30)13-10-19-9-12-23(24(15-19)31-2)32-17-20-6-4-3-5-7-20/h3-7,9-10,12-13,15,18H,8,11,14,17H2,1-2H3,(H,29,30)/b13-10+InChIKey
NRVFFMSEFDTMKK-JLHYYAGUSA-NSynonyms
469875-95-4(2E)3(4(benzyloxy)3methoxyphenyl)N(3cyano6methyl4567tetrahydro1benzothiophen2yl)prop2enamide
(E)3(4(benzyloxy)3methoxyphenyl)N(3cyano6methyl4567tetrahydrobenzo(b)thiophen2yl)acrylamide
(E)N(3cyano6methyl4567tetrahydro1benzothiophen2yl)3(3methoxy4phenylmethoxyphenyl)prop2enamide
469875954
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC
COc1cc(C=CC(=O)Nc2sc3c(c2C#N)CCC(C3)C)ccc1OCc1ccccc1
InChI=1SC27H26N2O3Sc1188112122(1628)27(3325(21)1418)2926(30)13101991223(24(1519)312)3217206435720h3791012131518H8111417H212H3(H2930)b1310+
MFCD02960283
ZINC000001776808
ZINC000001776810
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