Vitas-M small molecule compound
methyl (5E)-2-[(4-fluorophenyl)amino]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158493
SMILES COC(=O)C1=C(Nc2ccc(cc2)F)S/C(=C/c2ccc(o2)C)/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 C18H14FNO4S MW 359.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14FNO4S/c1-10-3-8-13(24-10)9-14-16(21)15(18(22)23-2)17(25-14)20-12-6-4-11(19)5-7-12/h3-9,20H,1-2H3/b14-9+InChIKey
XWDZYKKARNYPGC-NTEUORMPSA-NSynonyms
CC1=CC=C(O1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)F)C(=O)OC
COC(=O)C1=C(Nc2ccc(cc2)F)SC(=Cc2ccc(o2)C)C1=O
InChI=1SC18H14FNO4Sc1103813(2410)91416(21)15(18(22)232)17(2514)20126411(19)5712h3920H12H3b149+
METHYL(5E)2((4FLUOROPHENYL)AMINO)5((5METHYLFURAN2YL)METHYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL(5E)2(4FLUOROANILINO)5((5METHYLFURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
MFCD08674906
ZINC000001405413
ZINC01405413
ZINC1405413
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