Vitas-M small molecule compound
ethyl 4-(4-bromophenyl)-2-({(2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK525195
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1ccc(cc1)N(C)C)/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 C25H22BrN3O3S MW 524.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O3S/c1-4-32-25(31)22-21(17-7-9-19(26)10-8-17)15-33-24(22)28-23(30)18(14-27)13-16-5-11-20(12-6-16)29(2)3/h5-13,15H,4H2,1-3H3,(H,28,30)/b18-13+InChIKey
FDIWKLYIRRMGNI-QGOAFFKASA-NSynonyms
(E)ethyl4(4bromophenyl)2(2cyano3(4(dimethylamino)phenyl)acrylamido)thiophene3carboxylate
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC=C(C=C3)N(C)C)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)C(=Cc1ccc(cc1)N(C)C)C#N
ethyl4(4bromophenyl)2(((2E)2cyano3(4(dimethylamino)phenyl)prop2enoyl)amino)thiophene3carboxylate
ethyl4(4bromophenyl)2(((E)2cyano3(4(dimethylamino)phenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL4(4BROMOPHENYL)2(((E)2CYANO3(4DIMETHYLAMINOPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC25H22BrN3O3Sc143225(31)2221(177919(26)10817)153324(22)2823(30)18(1427)131651120(12616)29(2)3h51315H4H213H3(H2830)b1813+
MFCD01959775
ZINC000002289251
ZINC2289251
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