Vitas-M small molecule compound
4-[(2-bromo-4-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK176975
SMILES Cc1ccc(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 C26H19BrN2O6 MW 535.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN2O6/c1-15-2-9-19(10-3-15)29-24(31)20(23(30)28-26(29)34)12-17-6-11-22(21(27)13-17)35-14-16-4-7-18(8-5-16)25(32)33/h2-13H,14H2,1H3,(H,32,33)(H,28,30,34)/b20-12+InChIKey
MNEFXOZVPGEMJX-UDWIEESQSA-NSynonyms
4((2bromo4((E)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
4((2BROMO4((E)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC1=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
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC26H19BrN2O6c1152919(10315)2924(31)20(23(30)2826(29)34)121761122(21(27)1317)3514164718(8516)25(32)33h213H14H21H3(H3233)(H283034)b2012+
MFCD02084943
ZINC000100205781
ZINC100205781
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