Vitas-M small molecule compound
ethyl (4-{(Z)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK176632
SMILES CCOC(=O)COc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)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)13-31-18-7-5-16(6-8-18)12-19-21(27)24-23(29)25(22(19)28)17-10-14(2)9-15(3)11-17/h5-12H,4,13H2,1-3H3,(H,24,27,29)/b19-12-InChIKey
PUGBBKUWCTZSLH-UNOMPAQXSA-NSynonyms
348576-00-1348576001
CCOC(=O)COC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C
CCOC(=O)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
ETHYL(4((Z)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(4((Z)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC23H22N2O6c143020(26)1331187516(6818)121921(27)2423(29)25(22(19)28)171014(2)915(3)1117h512H413H213H3(H242729)b1912
MFCD02623906
ZINC000001215021
ZINC01215021
ZINC1215021
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