Vitas-M small molecule compound
methyl (2-bromo-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170379
SMILES COC(=O)COc1ccc(cc1Br)/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 C22H19BrN2O6 MW 487.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O6/c1-12-4-6-15(8-13(12)2)25-21(28)16(20(27)24-22(25)29)9-14-5-7-18(17(23)10-14)31-11-19(26)30-3/h4-10H,11H2,1-3H3,(H,24,27,29)/b16-9+InChIKey
HYRDDIBVLOBLEB-CXUHLZMHSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)OC)Br)C(=O)NC2=O)C
COC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC22H19BrN2O6c1124615(813(12)2)2521(28)16(20(27)2422(25)29)9145718(17(23)1014)311119(26)303h410H11H213H3(H242729)b169+
METHYL(2BROMO4((E)(1(34DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(2BROMO4((E)(1(34DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD02628740
ZINC000001184244
ZINC01184244
ZINC1184244
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