Vitas-M small molecule compound
ethyl 4-(4-fluorophenyl)-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK439462
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
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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 C22H17FN2O5S MW 440.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN2O5S/c1-2-30-22(27)20-18(15-6-8-16(23)9-7-15)13-31-21(20)24-19(26)12-5-14-3-10-17(11-4-14)25(28)29/h3-13H,2H2,1H3,(H,24,26)/b12-5+InChIKey
LQPXMTZXMPOTSI-LFYBBSHMSA-NSynonyms
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
ETHYL2((2E)3(4NITROPHENYL)PROP2ENOYLAMINO)4(4FLUOROPHENYL)THIOPHENE3CARBOXYLATE
ethyl4(4fluorophenyl)2(((2E)3(4nitrophenyl)prop2enoyl)amino)thiophene3carboxylate
ETHYL4(4FLUOROPHENYL)2(((E)3(4NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H17FN2O5Sc123022(27)2018(156816(23)9715)133121(20)2419(26)1251431017(11414)25(28)29h313H2H21H3(H2426)b125+
MFCD03397012
ZINC000002767444
ZINC02767444
ZINC2767444
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