Vitas-M small molecule compound
5-(3-{(Z)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Catalog ID
STK170397
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2cc(cc(c2)C(=O)O)C(=O)O)C)/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 C25H18BrN3O7 MW 552.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O7/c1-12-7-14(13(2)28(12)19-9-15(23(32)33)8-16(10-19)24(34)35)11-20-21(30)27-25(36)29(22(20)31)18-5-3-17(26)4-6-18/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b20-11-InChIKey
JUNFRSFJSYNDNS-JAIQZWGSSA-NSynonyms
5(3((Z)(1(4bromophenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzene13dicarboxylicacid
5(3((Z)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2cc(cc(c2)C(=O)O)C(=O)O)C)C1=O
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC25H18BrN3O7c112714(13(2)28(12)19915(23(32)33)816(1019)24(34)35)112021(30)2725(36)29(22(20)31)185317(26)4618h311H12H3(H3233)(H3435)(H273036)b2011
MFCD02905068
ZINC000097960538
ZINC97960538
Check stock
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Check stock on Vitas-MAvailable files
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