Vitas-M small molecule compound
2-({[(2E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK329048
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)/C=C/c1ccc(cc1)Br
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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 C20H20BrN3O2S2 MW 478.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2S2/c1-11-2-8-14-15(10-11)28-19(17(14)18(22)26)24-20(27)23-16(25)9-5-12-3-6-13(21)7-4-12/h3-7,9,11H,2,8,10H2,1H3,(H2,22,26)(H2,23,24,25,27)/b9-5+InChIKey
RKXVDEBDXRPMDP-WEVVVXLNSA-NSynonyms
2((((2E)3(4bromophenyl)prop2enoyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxamide
2(((E)3(4bromophenyl)prop2enoyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxamide
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br
CC1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)C=Cc1ccc(cc1)Br
InChI=1SC20H20BrN3O2S2c111281415(1011)2819(17(14)18(22)26)2420(27)2316(25)95123613(21)7412h37911H2810H21H3(H22226)(H223242527)b95+
MFCD01994053
ZINC000018191361
ZINC000018191364
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