Vitas-M small molecule compound
2-chloro-4-(3-{(Z)-[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK170510
SMILES Fc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)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 C24H17ClFN3O5 MW 481.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClFN3O5/c1-12-8-14(13(2)28(12)17-6-7-18(23(32)33)20(25)11-17)9-19-21(30)27-24(34)29(22(19)31)16-5-3-4-15(26)10-16/h3-11H,1-2H3,(H,32,33)(H,27,30,34)/b19-9-InChIKey
XKRQIIFYWDERTH-OCKHKDLRSA-NSynonyms
2CHLORO4(3((Z)(1(3FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
2CHLORO4(3((Z)(1(3FLUOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F
Fc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)C)C1=O
InChI=1SC24H17ClFN3O5c112814(13(2)28(12)176718(23(32)33)20(25)1117)91921(30)2724(34)29(22(19)31)1653415(26)1016h311H12H3(H3233)(H273034)b199
MFCD02604935
ZINC000014010709
ZINC14010709
Check stock
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Check stock on Vitas-MAvailable files
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