Vitas-M small molecule compound
methyl (2-bromo-4-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170577
SMILES COC(=O)COc1ccc(cc1Br)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C21H17BrN2O6 MW 473.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O6/c1-12-3-6-14(7-4-12)24-20(27)15(19(26)23-21(24)28)9-13-5-8-17(16(22)10-13)30-11-18(25)29-2/h3-10H,11H2,1-2H3,(H,23,26,28)/b15-9+InChIKey
UIJNNJXANZRWKV-OQLLNIDSSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)OC)Br)C(=O)NC2=O
COC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
InChI=1SC21H17BrN2O6c1123614(7412)2420(27)15(19(26)2321(24)28)9135817(16(22)1013)301118(25)292h310H11H212H3(H232628)b159+
METHYL(2BROMO4((E)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
methyl2(2bromo4((E)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)acetate
MFCD02379400
ZINC000009311208
ZINC09311208
ZINC9311208
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