Vitas-M small molecule compound
methyl (4-{(Z)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK611404
SMILES COC(=O)COc1ccc(cc1OC)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(c(c1)C)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 C23H22N2O7 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7/c1-13-5-7-16(9-14(13)2)25-22(28)17(21(27)24-23(25)29)10-15-6-8-18(19(11-15)30-3)32-12-20(26)31-4/h5-11H,12H2,1-4H3,(H,24,27,29)/b17-10-InChIKey
NMYZVTPYHKBPJB-YVLHZVERSA-NSynonyms
COC(=O)COc1ccc(cc1OC)C=C1C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O
InChI=1SC23H22N2O7c1135716(914(13)2)2522(28)17(21(27)2423(25)29)10156818(19(1115)303)321220(26)314h511H12H214H3(H242729)b1710
methyl(4((Z)(1(34dimethylphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)acetate
METHYL2(4((Z)(1(34DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
MFCD08730207
ZINC000009164959
ZINC09164959
ZINC9164959
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