Vitas-M small molecule compound
ethyl (5E)-5-(4-fluoro-3-phenoxybenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158410
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C/c2ccc(c(c2)Oc2ccccc2)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 C27H22FNO5S MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FNO5S/c1-3-33-27(31)24-25(30)23(35-26(24)29-18-10-12-19(32-2)13-11-18)16-17-9-14-21(28)22(15-17)34-20-7-5-4-6-8-20/h4-16,29H,3H2,1-2H3/b23-16+InChIKey
JVMSERLGEKSZOT-XQNSMLJCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(c(c2)Oc2ccccc2)F)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)F)OC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)OC
ETHYL(5E)5((4FLUORO3PHENOXYPHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(4FLUORO3PHENOXYBENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC27H22FNO5Sc133327(31)2425(30)23(3526(24)2918101219(322)131118)161791421(28)22(1517)34207546820h41629H3H212H3b2316+
MFCD08679382
ZINC000002898779
ZINC02898779
ZINC2898779
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