Vitas-M small molecule compound
5-(3-{(Z)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Catalog ID
STK192614
SMILES OC(=O)c1cc(cc(c1)C(=O)O)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
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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 C25H17Cl2N3O6S MW 558.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Cl2N3O6S/c1-11-6-13(12(2)29(11)16-8-14(23(33)34)7-15(9-16)24(35)36)10-17-21(31)28-25(37)30(22(17)32)19-5-3-4-18(26)20(19)27/h3-10H,1-2H3,(H,33,34)(H,35,36)(H,28,31,37)/b17-10-InChIKey
NVFJBJBGMBUZOC-YVLHZVERSA-NSynonyms
5(3((Z)(1(23DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((Z)(1(23DICHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(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=C(C(=CC=C4)Cl)Cl
InChI=1SC25H17Cl2N3O6Sc111613(12(2)29(11)16814(23(33)34)715(916)24(35)36)101721(31)2825(37)30(22(17)32)1953418(26)20(19)27h310H12H3(H3334)(H3536)(H283137)b1710
MFCD02628914
OC(=O)c1cc(cc(c1)C(=O)O)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
ZINC000043009120
ZINC43009120
Check stock
See real-time availability and sample size for STK192614 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.