Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-bromophenyl)prop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK440585
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)Br)sc(c1C)C(=O)N(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 C19H19BrN2O4S MW 451.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN2O4S/c1-11-15(19(25)26-4)17(27-16(11)18(24)22(2)3)21-14(23)10-7-12-5-8-13(20)9-6-12/h5-10H,1-4H3,(H,21,23)/b10-7+InChIKey
USHYEGUJEWYCNC-JXMROGBWSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC=C(C=C2)Br)C(=O)N(C)C
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)Br)sc(c1C)C(=O)N(C)C
InChI=1SC19H19BrN2O4Sc11115(19(25)264)17(2716(11)18(24)22(2)3)2114(23)107125813(20)9612h510H14H3(H2123)b107+
methyl2(((2E)3(4bromophenyl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)3(4BROMOPHENYL)PROP2ENOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(4BROMOPHENYL)PROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03395354
ZINC000001112984
ZINC01112984
ZINC1112984
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