Vitas-M small molecule compound
4-[(2,6-dibromo-4-{(E)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170268
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Br)c(c(c2)Br)OCc2ccc(cc2)C(=O)O)/C1=O
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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 C27H20Br2N2O6 MW 628.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Br2N2O6/c1-2-15-5-9-19(10-6-15)31-25(33)20(24(32)30-27(31)36)11-17-12-21(28)23(22(29)13-17)37-14-16-3-7-18(8-4-16)26(34)35/h3-13H,2,14H2,1H3,(H,34,35)(H,30,32,36)/b20-11+InChIKey
MTKXNGKQRVBPLB-RGVLZGJSSA-NSynonyms
4((26dibromo4((E)(1(4ethylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
4((26DIBROMO4((E)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)C(=O)O)Br)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Br)c(c(c2)Br)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC27H20Br2N2O6c12155919(10615)3125(33)20(24(32)3027(31)36)11171221(28)23(22(29)1317)3714163718(8416)26(34)35h313H214H21H3(H3435)(H303236)b2011+
MFCD02084979
ZINC000150343236
ZINC150343236
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