Vitas-M small molecule compound
(3aR,7aS)-2-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311096
SMILES O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1c(C)nn(c1C)Cc1ccc(c(c1)Cl)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 C20H21Cl2N3O2 MW 406.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N3O2/c1-11-18(25-19(26)14-5-3-4-6-15(14)20(25)27)12(2)24(23-11)10-13-7-8-16(21)17(22)9-13/h7-9,14-15H,3-6,10H2,1-2H3/t14-,15+InChIKey
BCFJTYORMBTJBM-GASCZTMLSA-NSynonyms
1212097-51-2(3aR7aS)2(1(34dichlorobenzyl)35dimethyl1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(1((34dichlorophenyl)methyl)35dimethylpyrazol4yl)3a45677ahexahydroisoindole13dione
1212097512
CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)N3C(=O)C4CCCCC4C3=O
InChI=1SC20H21Cl2N3O2c11118(2519(26)14534615(14)20(25)27)12(2)24(2311)10137816(21)17(22)913h791415H3610H212H3t1415+
MFCD04059096
O=C1(C@@H)2CCCC(C@@H)2C(=O)N1c1c(C)nn(c1C)Cc1ccc(c(c1)Cl)Cl
ZINC000018038002
ZINC18038002
ZINC18166739
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