Vitas-M small molecule compound
(3aR,7aS)-2-[5-methyl-1-(2-methylbenzyl)-1H-pyrazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311073
SMILES O=C1N(c2nn(c(c2)C)Cc2ccccc2C)C(=O)[C@@H]2[C@H]1CCCC2
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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 C20H23N3O2 MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O2/c1-13-7-3-4-8-15(13)12-22-14(2)11-18(21-22)23-19(24)16-9-5-6-10-17(16)20(23)25/h3-4,7-8,11,16-17H,5-6,9-10,12H2,1-2H3/t16-,17+InChIKey
SJHFLZJDYNRJQQ-CALCHBBNSA-NSynonyms
1212421-54-9(3aR7aS)2(5methyl1(2methylbenzyl)1Hpyrazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(5methyl1((2methylphenyl)methyl)pyrazol3yl)3a45677ahexahydroisoindole13dione
1212421549
CC1=CC=CC=C1CN2C(=CC(=N2)N3C(=O)C4CCCCC4C3=O)C
InChI=1SC20H23N3O2c113734815(13)122214(2)1118(2122)2319(24)169561017(16)20(23)25h3478111617H5691012H212H3t1617+
MFCD04059042
O=C1N(c2nn(c(c2)C)Cc2ccccc2C)C(=O)(C@@H)2(C@H)1CCCC2
ZINC000017991030
ZINC17991030
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