Vitas-M small molecule compound
5-{3-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Catalog ID
STK190098
SMILES OC(=O)c1cc(cc(c1)C(=O)O)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C25H19N3O6S MW 489.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O6S/c1-13-8-15(14(2)27(13)19-10-16(23(31)32)9-17(11-19)24(33)34)12-20-21(29)26-25(35)28(22(20)30)18-6-4-3-5-7-18/h3-12H,1-2H3,(H,31,32)(H,33,34)(H,26,29,35)/b20-12+InChIKey
JQIGYUULGQKILM-UDWIEESQSA-NSynonyms
5(3((E)(46DIOXO1PHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((E)(46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4
InChI=1SC25H19N3O6Sc113815(14(2)27(13)191016(23(31)32)917(1119)24(33)34)122021(29)2625(35)28(22(20)30)186435718h312H12H3(H3132)(H3334)(H262935)b2012+
MFCD02639783
OC(=O)c1cc(cc(c1)C(=O)O)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
ZINC000002978881
ZINC2978881
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.