Vitas-M small molecule compound
(3aR,7aS)-2-[5-methyl-1-(3-methylbenzyl)-1H-pyrazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311211
SMILES Cc1cccc(c1)Cn1nc(cc1C)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2
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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/c1-13-6-5-7-15(10-13)12-22-14(2)11-18(21-22)23-19(24)16-8-3-4-9-17(16)20(23)25/h5-7,10-11,16-17H,3-4,8-9,12H2,1-2H3/t16-,17+InChIKey
IEIVZKWLMBNHKS-CALCHBBNSA-NSynonyms
1212182-06-3(3aR7aS)2(5methyl1(3methylbenzyl)1Hpyrazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(5methyl1((3methylphenyl)methyl)pyrazol3yl)3a45677ahexahydroisoindole13dione
1212182063
CC1=CC(=CC=C1)CN2C(=CC(=N2)N3C(=O)C4CCCCC4C3=O)C
Cc1cccc(c1)Cn1nc(cc1C)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC20H23N3O2c11365715(1013)122214(2)1118(2122)2319(24)16834917(16)20(23)25h5710111617H348912H212H3t1617+
MFCD04059405
ZINC000018169553
ZINC18169553
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