Vitas-M small molecule compound
ethyl (4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK176684
SMILES CCOC(=O)COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
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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 C23H22N2O6 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6/c1-4-30-20(26)13-31-18-9-6-16(7-10-18)12-19-21(27)24-23(29)25(22(19)28)17-8-5-14(2)15(3)11-17/h5-12H,4,13H2,1-3H3,(H,24,27,29)/b19-12+InChIKey
IEKHRYFZNCLADE-XDHOZWIPSA-NSynonyms
CCOC(=O)COC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)C
CCOC(=O)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
ETHYL(4((E)(1(34DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(4((E)(1(34DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC23H22N2O6c143020(26)1331189616(71018)121921(27)2423(29)25(22(19)28)178514(2)15(3)1117h512H413H213H3(H242729)b1912+
MFCD02628721
ZINC000002973237
ZINC02973237
ZINC2973237
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