Vitas-M small molecule compound
ethyl 4-(4-bromophenyl)-2-{[(2E)-2-cyano-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK473574
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1cn(nc1C)CC)/C#N
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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 C23H21BrN4O3S MW 513.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O3S/c1-4-28-12-17(14(3)27-28)10-16(11-25)21(29)26-22-20(23(30)31-5-2)19(13-32-22)15-6-8-18(24)9-7-15/h6-10,12-13H,4-5H2,1-3H3,(H,26,29)/b16-10+InChIKey
DRUWHEIKWUIUIR-MHWRWJLKSA-NSynonyms
CCN1C=C(C(=N1)C)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC
CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)C(=Cc1cn(nc1C)CC)C#N
ETHYL2((2E)2CYANO3(1ETHYL3METHYLPYRAZOL4YL)PROP2ENOYLAMINO)4(4BROMOPHENYL)THIOPHENE3CARBOXYLATE
ethyl4(4bromophenyl)2(((2E)2cyano3(1ethyl3methyl1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
ethyl4(4bromophenyl)2(((E)2cyano3(1ethyl3methylpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
InChI=1SC23H21BrN4O3Sc14281217(14(3)2728)1016(1125)21(29)262220(23(30)3152)19(133222)156818(24)9715h6101213H45H213H3(H2629)b1610+
MFCD07076803
ZINC000020215321
ZINC20215321
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