Vitas-M small molecule compound
3-[(4-{(Z)-[1-(3,5-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK612611
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C\1/C(=NC(=O)N(C1=O)c1cc(C)cc(c1)C)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 C28H24N2O7 MW 500.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O7/c1-16-9-17(2)11-21(10-16)30-26(32)22(25(31)29-28(30)35)13-18-7-8-23(24(14-18)36-3)37-15-19-5-4-6-20(12-19)27(33)34/h4-14H,15H2,1-3H3,(H,33,34)(H,29,31,35)/b22-13-InChIKey
XBNPFXFHUMYNNG-XKZIYDEJSA-NSynonyms
3((4((Z)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
3((4((Z)(1(35dimethylphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1C(=NC(=O)N(C1=O)c1cc(C)cc(c1)C)O
InChI=1SC28H24N2O7c116917(2)1121(1016)3026(32)22(25(31)2928(30)35)13187823(24(1418)363)37151954620(1219)27(33)34h414H15H213H3(H3334)(H293135)b2213
MFCD08734861
ZINC000008770933
ZINC8770933
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