Vitas-M small molecule compound
methyl (2-bromo-6-ethoxy-4-{(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170386
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCC(=O)OC)Br
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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 C23H21BrN2O7 MW 517.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O7/c1-4-32-18-11-14(10-17(24)20(18)33-12-19(27)31-3)9-16-21(28)25-23(30)26(22(16)29)15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3,(H,25,28,30)/b16-9-InChIKey
PWLMOLHSCMCYRQ-SXGWCWSVSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)Br)OCC(=O)OC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCC(=O)OC)Br
InChI=1SC23H21BrN2O7c1432181114(1017(24)20(18)331219(27)313)91621(28)2523(30)26(22(16)29)157513(2)6815h511H412H213H3(H252830)b169
METHYL(2BROMO6ETHOXY4((Z)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(2BROMO6ETHOXY4((Z)(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD02628793
ZINC000001213085
ZINC01213085
ZINC1213085
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