Vitas-M small molecule compound

3-(3-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK170720
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)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)19-5-3-4-15(11-19)23(31)32)12-20-21(29)26-24(33)28(22(20)30)18-8-6-17(25)7-9-18/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b20-12+
InChIKey
ZRIVLDJIHJBUEG-UDWIEESQSA-N
Synonyms

(E)3(3((1(4bromophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
3(3((E)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
3(3((E)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
3(3((E)(1(4BROMOPHENYL)4HYDROXY26DIOXO16DIHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)C(=O)O)C)C1=O
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC24H18BrN3O5c1131016(14(2)27(13)1953415(1119)23(31)32)122021(29)2624(33)28(22(20)30)188617(25)7918h312H12H3(H3132)(H262933)b2012+
MFCD02992842
ZINC8741229

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Available files

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