Vitas-M small molecule compound
ethyl (5Z)-5-(4-fluorobenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK038874
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(cc2)F)/C1=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 C20H15FN2O5S MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O5S/c1-2-28-20(25)17-18(24)16(11-12-3-5-13(21)6-4-12)29-19(17)22-14-7-9-15(10-8-14)23(26)27/h3-11,22H,2H2,1H3/b16-11-InChIKey
ZRQRPPPAMPWKMF-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(cc2)F)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)F)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((4FLUOROPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4FLUOROBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL5(4FLUOROBENZYLIDENE)2(4NITROANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC20H15FN2O5Sc122820(25)1718(24)16(11123513(21)6412)2919(17)22147915(10814)23(26)27h31122H2H21H3b1611
MFCD02108217
STK038874
ZINC000004321370
ZINC04321370
ZINC4321370
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