Vitas-M small molecule compound
4-(3-{(E)-[1-(2-chlorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STL417100
SMILES OC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1Cl
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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 C25H20ClN3O5 MW 477.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O5/c1-14-11-18(15(2)29(14)19-9-7-16(8-10-19)24(32)33)12-20-22(30)27-25(34)28(23(20)31)13-17-5-3-4-6-21(17)26/h3-12H,13H2,1-2H3,(H,32,33)(H,27,30,34)/b20-12+InChIKey
LMMIENATFTZTGH-UDWIEESQSA-NSynonyms
4(3((1(2CHLOROBENZYL)246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
4(3((E)(1((2CHLOROPHENYL)METHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
4(3((E)(1(2chlorobenzyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4Cl
InChI=1SC25H20ClN3O5c1141118(15(2)29(14)199716(81019)24(32)33)122022(30)2725(34)28(23(20)31)1317534621(17)26h312H13H212H3(H3233)(H273034)b2012+
MFCD03993885
OC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1Cl
ZINC000020233250
ZINC20233250
Check stock
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Check stock on Vitas-MAvailable files
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