Vitas-M small molecule compound
3-(3-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Catalog ID
STK187439
SMILES Fc1ccc(cc1)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/c1-13-4-5-16(24(32)33)12-21(13)28-14(2)10-17(15(28)3)11-20-22(30)27-25(34)29(23(20)31)19-8-6-18(26)7-9-19/h4-12H,1-3H3,(H,32,33)(H,27,30,34)/b20-11-InChIKey
XODXATQRPVJXDQ-JAIQZWGSSA-NSynonyms
3(3((Z)(1(4fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4methylbenzoicacid
3(3((Z)(1(4FLUOROPHENYL)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=C(C=C4)F)C
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(ccc2C)C(=O)O)C)C1=O
InChI=1SC25H20FN3O4Sc1134516(24(32)33)1221(13)2814(2)1017(15(28)3)112022(30)2725(34)29(23(20)31)198618(26)7919h412H13H3(H3233)(H273034)b2011
MFCD04571464
ZINC000009258959
ZINC9258959
Check stock
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Check stock on Vitas-MAvailable files
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