Vitas-M small molecule compound
3-(3-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Catalog ID
STK197037
SMILES COc1ccc(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 C26H23N3O5S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S/c1-14-5-6-17(25(32)33)13-22(14)28-15(2)11-18(16(28)3)12-21-23(30)27-26(35)29(24(21)31)19-7-9-20(34-4)10-8-19/h5-13H,1-4H3,(H,32,33)(H,27,30,35)/b21-12+InChIKey
BXCNKCATQZAMPJ-CIAFOILYSA-NSynonyms
3(3((1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)4METHYLBENZOICACID
3(3((E)(1(4METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)4METHYLBENZOICACID
3(3((E)(1(4METHOXYPHENYL)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)OC)C
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(ccc2C)C(=O)O)C)C1=O
InChI=1SC26H23N3O5Sc1145617(25(32)33)1322(14)2815(2)1118(16(28)3)122123(30)2726(35)29(24(21)31)197920(344)10819h513H14H3(H3233)(H273035)b2112+
MFCD03270062
ZINC000002099505
ZINC2099505
Check stock
See real-time availability and sample size for STK197037 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.