Vitas-M small molecule compound
6-tert-butyl-2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK419349
SMILES O=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)/C=C/c1ccc(cc1)F
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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 C22H25FN2O2S MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN2O2S/c1-22(2,3)14-7-10-16-17(12-14)28-21(19(16)20(24)27)25-18(26)11-6-13-4-8-15(23)9-5-13/h4-6,8-9,11,14H,7,10,12H2,1-3H3,(H2,24,27)(H,25,26)/b11-6+InChIKey
ASFVAALVCLFLLJ-IZZDOVSWSA-NSynonyms
1027887-00-81027887008
6tertbutyl2(((2E)3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2(((E)3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=C(C=C3)F
InChI=1SC22H25FN2O2Sc122(23)147101617(1214)2821(19(16)20(24)27)2518(26)116134815(23)9513h46891114H71012H213H3(H22427)(H2526)b116+
MFCD01353358
O=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)C=Cc1ccc(cc1)F
ZINC000000996449
ZINC000000996451
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