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)-2-methylbenzoic acid
Catalog ID
STK201061
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2C)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/c1-14-12-17(16(3)28(14)22-7-5-6-20(15(22)2)25(32)33)13-21-23(30)27-26(35)29(24(21)31)18-8-10-19(34-4)11-9-18/h5-13H,1-4H3,(H,32,33)(H,27,30,35)/b21-13+InChIKey
GWBYODUAGHKVDL-FYJGNVAPSA-NSynonyms
429622-72-03(3((1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
3(3((E)(1(4METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOICACID
3(3((E)(1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
429622720
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2C)C(=O)O)C)C1=O
InChI=1SC26H23N3O5Sc1141217(16(3)28(14)2275620(15(22)2)25(32)33)132123(30)2726(35)29(24(21)31)1881019(344)11918h513H14H3(H3233)(H273035)b2113+
MFCD02604999
ZINC000002053892
ZINC2053892
Check stock
See real-time availability and sample size for STK201061 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.