Vitas-M small molecule compound

2-chloro-6-ethoxy-3-[3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline

Catalog ID
STK999066
SMILES CCOc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)C)c1ccc(cc1)C

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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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c1-4-29-17-9-10-19-16(11-17)12-18(22(23)24-19)21-13-20(25-26(21)30(3,27)28)15-7-5-14(2)6-8-15/h5-12,21H,4,13H2,1-3H3
InChIKey
NZUZWIIVPRUDEP-UHFFFAOYSA-N
Synonyms
667898-78-4
2CHLORO3(3(4METHYLPHENYL)1(METHYLSULFONYL)45DIHYDRO1HPYRAZOL5YL)6QUINOLINYLETHYLETHER
2CHLORO6ETHOXY3(1(METHYLSULFONYL)3(PTOLYL)45DIHYDRO1HPYRAZOL5YL)QUINOLINE
2chloro6ethoxy3(3(4methylphenyl)1(methylsulfonyl)45dihydro1Hpyrazol5yl)quinoline
2CHLORO6ETHOXY3(5(4METHYLPHENYL)2METHYLSULFONYL34DIHYDROPYRAZOL3YL)QUINOLINE
667898784
CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=C(C=C4)C
InChI=1SC22H22ClN3O3Sc1429179101916(1117)1218(22(23)2419)211320(2526(21)30(327)28)157514(2)6815h51221H413H213H3
MFCD03664565
ZINC000000644919
ZINC000000644920

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.