Vitas-M small molecule compound
4-(3-{(E)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK170238
SMILES Brc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)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 C24H18BrN3O5 MW 508.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrN3O5/c1-13-10-16(14(2)27(13)18-8-6-15(7-9-18)23(31)32)11-20-21(29)26-24(33)28(22(20)30)19-5-3-4-17(25)12-19/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b20-11+InChIKey
VEEXLHHVQZQLSS-RGVLZGJSSA-NSynonyms
4(3((1(3BROMOPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)25DIMETHYLPYRROLYL)BENZOICACID
4(3((E)(1(3BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
4(3((E)(1(3BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
Brc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)O)C)C1=O
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br
InChI=1SC24H18BrN3O5c1131016(14(2)27(13)188615(7918)23(31)32)112021(29)2624(33)28(22(20)30)1953417(25)1219h312H12H3(H3132)(H262933)b2011+
MFCD02782365
ZINC000004083789
ZINC4083789
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.