Vitas-M small molecule compound
3-{[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}-N-(4-chlorophenyl)benzenesulfonamide
Catalog ID
STL286775
SMILES Clc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C/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 C33H28ClN3O3S MW 582.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28ClN3O3S/c34-27-17-19-28(20-18-27)36-41(39,40)29-15-7-14-26(22-29)33(38)37-32(24-11-5-2-6-12-24)30-16-8-13-25(31(30)35-37)21-23-9-3-1-4-10-23/h1-7,9-12,14-15,17-22,30,32,36H,8,13,16H2/b25-21-InChIKey
XOZIXFYDUVYLAZ-DAFNUICNSA-NSynonyms
3(((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)carbonyl)N(4chlorophenyl)benzenesulfonamide
3((7Z)7benzylidene3phenyl3a456tetrahydro3Hindazole2carbonyl)N(4chlorophenyl)benzenesulfonamide
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Cl)C6=CC=CC=C6
Clc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC33H28ClN3O3Sc3427171928(201827)3641(3940)291571426(2229)33(38)3732(24115261224)301681325(31(30)3537)212393141023h1791214151722303236H81316H2b2521
MFCD24850377
ZINC000097971186
ZINC000097971189
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