Vitas-M small molecule compound
4-[(4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-5-bromo-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK201645
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)c(cc1OCc1ccc(cc1)C(=O)O)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 C27H19BrN2O9 MW 595.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrN2O9/c1-36-21-9-16(19(28)11-23(21)37-12-14-2-4-15(5-3-14)26(33)34)8-18-24(31)29-27(35)30(25(18)32)17-6-7-20-22(10-17)39-13-38-20/h2-11H,12-13H2,1H3,(H,33,34)(H,29,31,35)/b18-8+InChIKey
ANFOLQUGOKDFHR-QGMBQPNBSA-NSynonyms
4((4((E)(1(13benzodioxol5yl)246trioxo13diazinan5ylidene)methyl)5bromo2methoxyphenoxy)methyl)benzoicacid
4((4((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)5BROMO2METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)Br)OCC5=CC=C(C=C5)C(=O)O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)c(cc1OCc1ccc(cc1)C(=O)O)Br
InChI=1SC27H19BrN2O9c13621916(19(28)1123(21)3712142415(5314)26(33)34)81824(31)2927(35)30(25(18)32)17672022(1017)39133820h211H1213H21H3(H3334)(H293135)b188+
MFCD06666641
ZINC000097961102
ZINC97961102
Check stock
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Check stock on Vitas-MAvailable files
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