Vitas-M small molecule compound
2-(2-bromo-6-ethoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetamide
Catalog ID
STK967917
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCC(=O)N)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 C22H20BrN3O6 MW 502.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O6/c1-3-31-17-10-13(9-16(23)19(17)32-11-18(24)27)8-15-20(28)25-22(30)26(21(15)29)14-6-4-5-12(2)7-14/h4-10H,3,11H2,1-2H3,(H2,24,27)(H,25,28,30)/b15-8-InChIKey
GNMDSCYDLWWXRM-NVNXTCNLSA-NSynonyms
2(2bromo6ethoxy4((Z)(1(3methylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)acetamide
2(2bromo6ethoxy4((Z)(1(3methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)acetamide
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C)Br)OCC(=O)N
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCC(=O)N)Br
InChI=1SC22H20BrN3O6c1331171013(916(23)19(17)321118(24)27)81520(28)2522(30)26(21(15)29)1464512(2)714h410H311H212H3(H22427)(H252830)b158
MFCD02371905
ZINC000013915021
ZINC13915021
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