Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(2E)-3-(3-chlorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK419196
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)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 C24H28ClNO3S MW 446.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClNO3S/c1-5-29-23(28)21-18-11-10-16(24(2,3)4)14-19(18)30-22(21)26-20(27)12-9-15-7-6-8-17(25)13-15/h6-9,12-13,16H,5,10-11,14H2,1-4H3,(H,26,27)/b12-9+InChIKey
PDZJYSPRKNTLAF-FMIVXFBMSA-NSynonyms
353478-64-5353478645
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C=CC3=CC(=CC=C3)Cl
CCOC(=O)c1c(NC(=O)C=Cc2cccc(c2)Cl)sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((2E)3(3chlorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2(((E)3(3chlorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H28ClNO3Sc152923(28)2118111016(24(23)4)1419(18)3022(21)2620(27)1291576817(25)1315h69121316H5101114H214H3(H2627)b129+
MFCD01356142
ZINC000001909409
ZINC000001909414
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