Vitas-M small molecule compound
2-[1-(2-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL402200
SMILES O=C1C2CCCCC2C(=O)N1c1c(C)nn(c1C)Cc1ccccc1F
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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 C20H22FN3O2 MW 355.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O2/c1-12-18(24-19(25)15-8-4-5-9-16(15)20(24)26)13(2)23(22-12)11-14-7-3-6-10-17(14)21/h3,6-7,10,15-16H,4-5,8-9,11H2,1-2H3InChIKey
KBLQVJVGNAGRGS-UHFFFAOYSA-NSynonyms
2(1((2fluorophenyl)methyl)35dimethylpyrazol4yl)3a45677ahexahydroisoindole13dione
2(1(2fluorobenzyl)35dimethyl1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
CC1=C(C(=NN1CC2=CC=CC=C2F)C)N3C(=O)C4CCCCC4C3=O
InChI=1SC20H22FN3O2c11218(2419(25)15845916(15)20(24)26)13(2)23(2212)11147361017(14)21h367101516H458911H212H3
MFCD28952616
ZINC000017073456
ZINC000101593461
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