Vitas-M small molecule compound
ethyl (5Z)-2-[(4-fluorophenyl)amino]-5-(3-nitrobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158463
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)F)S/C(=C\c2cccc(c2)[N+](=O)[O-])/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(11-12-4-3-5-15(10-12)23(26)27)29-19(17)22-14-8-6-13(21)7-9-14/h3-11,22H,2H2,1H3/b16-11-InChIKey
MGUHCTBVYJHWQN-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)F)SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)(N+)(=O)(O))C1=O)NC3=CC=C(C=C3)F
ETHYL(5Z)2((4FLUOROPHENYL)AMINO)5(3NITROBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4FLUOROANILINO)5((3NITROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC20H15FN2O5Sc122820(25)1718(24)16(111243515(1012)23(26)27)2919(17)22148613(21)7914h31122H2H21H3b1611
MFCD03711822
ZINC000004696119
ZINC04696119
ZINC4696119
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