Vitas-M small molecule compound
methyl 4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK316012
SMILES COC(=O)C1=C(C)NC2=C(C1c1cn(nc1c1ccccc1)Cc1ccc(cc1Cl)Cl)C(=O)CCC2
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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 C28H25Cl2N3O3 MW 522.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25Cl2N3O3/c1-16-24(28(35)36-2)25(26-22(31-16)9-6-10-23(26)34)20-15-33(14-18-11-12-19(29)13-21(18)30)32-27(20)17-7-4-3-5-8-17/h3-5,7-8,11-13,15,25,31H,6,9-10,14H2,1-2H3InChIKey
ONSVFZMLFDSCTI-UHFFFAOYSA-NSynonyms
492425-51-1492425511
CC1=C(C(C2=C(N1)CCCC2=O)C3=CN(N=C3C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C(=O)OC
InChI=1SC28H25Cl2N3O3c11624(28(35)362)25(2622(3116)961023(26)34)201533(1418111219(29)1321(18)30)3227(20)177435817h35781113152531H691014H212H3
methyl4(1((24dichlorophenyl)methyl)3phenylpyrazol4yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
methyl4(1(24dichlorobenzyl)3phenyl1Hpyrazol4yl)2methyl5oxo145678hexahydroquinoline3carboxylate
MFCD02175330
ZINC000100616071
ZINC000100616074
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