Vitas-M small molecule compound
ethyl 4-(4-bromophenyl)-2-{[(2E)-2-cyano-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK473609
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)/C(=C/c1cnn(c1)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 C22H19BrN4O3S MW 499.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O3S/c1-3-27-12-14(11-25-27)9-16(10-24)20(28)26-21-19(22(29)30-4-2)18(13-31-21)15-5-7-17(23)8-6-15/h5-9,11-13H,3-4H2,1-2H3,(H,26,28)/b16-9+InChIKey
PVBSPPWOSJJWCK-CXUHLZMHSA-NSynonyms
CCN1C=C(C=N1)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(=Cc1cnn(c1)CC)C#N
ETHYL2((2E)2CYANO3(1ETHYLPYRAZOL4YL)PROP2ENOYLAMINO)4(4BROMOPHENYL)THIOPHENE3CARBOXYLATE
ethyl4(4bromophenyl)2(((2E)2cyano3(1ethyl1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
ethyl4(4bromophenyl)2(((E)2cyano3(1ethylpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
InChI=1SC22H19BrN4O3Sc13271214(112527)916(1024)20(28)262119(22(29)3042)18(133121)155717(23)8615h591113H34H212H3(H2628)b169+
MFCD07079427
ZINC000020215354
ZINC20215354
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