Vitas-M small molecule compound
methyl (4-{(E)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK176800
SMILES COC(=O)COc1ccc(cc1OC)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
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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/c1-4-14-5-8-16(9-6-14)25-22(28)17(21(27)24-23(25)29)11-15-7-10-18(19(12-15)30-2)32-13-20(26)31-3/h5-12H,4,13H2,1-3H3,(H,24,27,29)/b17-11+InChIKey
VIDWVIAGXBYDSZ-GZTJUZNOSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)OC)OC)C(=O)NC2=O
COC(=O)COc1ccc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
InChI=1SC23H22N2O7c14145816(9614)2522(28)17(21(27)2423(25)29)111571018(19(1215)302)321320(26)313h512H413H213H3(H242729)b1711+
METHYL(4((E)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
methyl2(4((E)(1(4ethylphenyl)246trioxo13diazinan5ylidene)methyl)2methoxyphenoxy)acetate
MFCD02085163
ZINC000009310844
ZINC09310844
ZINC9310844
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