Vitas-M small molecule compound
4-[(2-bromo-4-{(E)-[1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK097987
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(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 C27H21BrN2O7 MW 565.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O7/c1-2-36-20-10-8-19(9-11-20)30-25(32)21(24(31)29-27(30)35)13-17-5-12-23(22(28)14-17)37-15-16-3-6-18(7-4-16)26(33)34/h3-14H,2,15H2,1H3,(H,33,34)(H,29,31,35)/b21-13+InChIKey
ARVGCKWSPSXTML-FYJGNVAPSA-NSynonyms
4((2BROMO4((E)(1(4ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2BROMO4((E)(1(4ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)Br)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC27H21BrN2O7c12362010819(91120)3025(32)21(24(31)2927(30)35)131751223(22(28)1417)3715163618(7416)26(33)34h314H215H21H3(H3334)(H293135)b2113+
MFCD02084950
STK097987
ZINC000100235778
ZINC100235778
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