Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[(2E)-3-(4-chlorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK445329
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)Cl)sc2c1CCC(C2)C(C)(C)C
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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 C23H26ClNO3S MW 431.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClNO3S/c1-23(2,3)15-8-11-17-18(13-15)29-21(20(17)22(27)28-4)25-19(26)12-7-14-5-9-16(24)10-6-14/h5-7,9-10,12,15H,8,11,13H2,1-4H3,(H,25,26)/b12-7+InChIKey
FRPINBZZMRIMFW-KPKJPENVSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC=C(C=C3)Cl
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)Cl)sc2c1CCC(C2)C(C)(C)C
InChI=1SC23H26ClNO3Sc123(23)158111718(1315)2921(20(17)22(27)284)2519(26)127145916(24)10614h579101215H81113H214H3(H2526)b127+
methyl6tertbutyl2(((2E)3(4chlorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(((E)3(4chlorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01337057
ZINC000001946243
ZINC000001946247
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