Vitas-M small molecule compound
2-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL398525
SMILES O=C1C2CCCCC2C(=O)N1c1c(C)nn(c1C)Cc1c(Cl)cccc1Cl
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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)13-6-3-4-7-14(13)20(25)27)12(2)24(23-11)10-15-16(21)8-5-9-17(15)22/h5,8-9,13-14H,3-4,6-7,10H2,1-2H3InChIKey
XQDLIZUHBWFDEL-UHFFFAOYSA-NSynonyms
2(1((26dichlorophenyl)methyl)35dimethylpyrazol4yl)3a45677ahexahydroisoindole13dione
2(1(26DICHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)HEXAHYDRO1HISOINDOLE13(2H)DIONE
CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)N3C(=O)C4CCCCC4C3=O
InChI=1SC20H21Cl2N3O2c11118(2519(26)13634714(13)20(25)27)12(2)24(2311)101516(21)85917(15)22h5891314H346710H212H3
MFCD28952574
ZINC000017083339
ZINC000101593786
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