Vitas-M small molecule compound
4-[(2-{(E)-[1-(2-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK175099
SMILES CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(cc2)C(=O)O)/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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-2-18-7-3-5-9-22(18)29-25(31)21(24(30)28-27(29)34)15-20-8-4-6-10-23(20)35-16-17-11-13-19(14-12-17)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b21-15+InChIKey
RQPAZYYVPYMLDG-RCCKNPSSSA-NSynonyms
4((2((E)(1(2ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((E)(1(2ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC27H22N2O6c1218735922(18)2925(31)21(24(30)2827(29)34)15208461023(20)351617111319(141217)26(32)33h315H216H21H3(H3233)(H283034)b2115+
MFCD02221067
ZINC000002968920
ZINC2968920
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