Vitas-M small molecule compound

4-(3-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK626620
SMILES Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)c2ccc(cc2)C(=O)O)C)/C1=O)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 C24H18FN3O5 MW 447.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O5/c1-13-11-16(14(2)27(13)18-7-3-15(4-8-18)23(31)32)12-20-21(29)26-24(33)28(22(20)30)19-9-5-17(25)6-10-19/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b20-12+
InChIKey
DHDSBNKKVGECOV-UDWIEESQSA-N
Synonyms

4(3((1(4FLUOROPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)25DIMETHYLPYRROLYL)BENZOICACID
4(3((E)(1(4FLUOROPHENYL)246TRIKETOHEXAHYDROPYRIMIDIN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
4(3((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYL1PYRROLYL)BENZOICACID
4(3((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
4(3((E)(1(4FLUOROPHENYL)246TRIS(OXIDANYLIDENE)13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
4(3((E)(1(4fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=O)N=C(C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)O)C)C1=O)O
InChI=1SC24H18FN3O5c1131116(14(2)27(13)187315(4818)23(31)32)122021(29)2624(33)28(22(20)30)199517(25)61019h312H12H3(H3132)(H262933)b2012+
MFCD09789873
ZINC000002209164
ZINC2209164

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Available files

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