Vitas-M small molecule compound
4-{(Z)-[1-(4-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK161662
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1ccc(cc1)F
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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 C21H16FNO5 MW 381.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FNO5/c1-12-18(21(27)28-2)17(11-13-3-5-14(6-4-13)20(25)26)19(24)23(12)16-9-7-15(22)8-10-16/h3-11H,1-2H3,(H,25,26)/b17-11-InChIKey
SQBHNUUENMVFIU-BOPFTXTBSA-NSynonyms
(Z)4((1(4fluorophenyl)4(methoxycarbonyl)5methyl2oxo1Hpyrrol3(2H)ylidene)methyl)benzoicacid4((1(4FLUOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(4FLUOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(4FLUOROPHENYL)4METHOXYCARBONYL5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)F)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1ccc(cc1)F
Registry IDs
MFCD02228777ZINC000002174151
ZINC2174151
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Check stock on Vitas-MAvailable files
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