Vitas-M small molecule compound
4-(3-{(Z)-[1-(2-methoxyethyl)-2,4,6-trioxo-3-phenyltetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
Catalog ID
STK382760
SMILES COCCN1C(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2C)C(=O)O)C)/C(=O)N(C1=O)c1ccccc1
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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 C28H27N3O6 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6/c1-17-14-20(27(34)35)10-11-24(17)30-18(2)15-21(19(30)3)16-23-25(32)29(12-13-37-4)28(36)31(26(23)33)22-8-6-5-7-9-22/h5-11,14-16H,12-13H2,1-4H3,(H,34,35)/b23-16-InChIKey
RWJAZBHXEOBUOC-KQWNVCNZSA-NSynonyms
4(3((3(2METHOXYETHYL)246TRIOXO1PHENYL(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)25DIMETHYLPYRROLYL)3METHYLBENZOICACID
4(3((Z)(1(2METHOXYETHYL)246TRIOXO3PHENYL13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)3METHYLBENZOICACID
4(3((Z)(1(2methoxyethyl)246trioxo3phenyltetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)3methylbenzoicacid
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C3C(=O)N(C(=O)N(C3=O)C4=CC=CC=C4)CCOC
COCCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)C(=O)O)C)C(=O)N(C1=O)c1ccccc1
InChI=1SC28H27N3O6c1171420(27(34)35)101124(17)3018(2)1521(19(30)3)162325(32)29(1213374)28(36)31(26(23)33)228657922h5111416H1213H214H3(H3435)b2316
MFCD05661382
ZINC000004108016
ZINC4108016
Check stock
See real-time availability and sample size for STK382760 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.