Vitas-M small molecule compound
3-(3-{(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Catalog ID
STK117577
SMILES Fc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cc(ccc2C)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 C25H20FN3O4S MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O4S/c1-13-7-8-16(24(32)33)11-21(13)28-14(2)9-17(15(28)3)10-20-22(30)27-25(34)29(23(20)31)19-6-4-5-18(26)12-19/h4-12H,1-3H3,(H,32,33)(H,27,30,34)/b20-10+InChIKey
SQFROJSRZDDJCM-KEBDBYFISA-NSynonyms
3(3((E)(1(3FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)4METHYLBENZOICACID
3(3((E)(1(3FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F)C
Fc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(ccc2C)C(=O)O)C)C1=O
InChI=1SC25H20FN3O4Sc1137816(24(32)33)1121(13)2814(2)917(15(28)3)102022(30)2725(34)29(23(20)31)1964518(26)1219h412H13H3(H3233)(H273034)b2010+
MFCD08671200
ZINC000009805476
ZINC9805476
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.