Vitas-M small molecule compound

(3aR,7aS)-2-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK310970
SMILES O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1c(C)nn(c1C)Cc1ccccc1C

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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 C21H25N3O2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2/c1-13-8-4-5-9-16(13)12-23-15(3)19(14(2)22-23)24-20(25)17-10-6-7-11-18(17)21(24)26/h4-5,8-9,17-18H,6-7,10-12H2,1-3H3/t17-,18+
InChIKey
CYLLKBJNBRREKB-HDICACEKSA-N
Synonyms
1212361-44-8
(3aR7aS)2(35dimethyl1(2methylbenzyl)1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(35dimethyl1((2methylphenyl)methyl)pyrazol4yl)3a45677ahexahydroisoindole13dione
1212361448
CC1=CC=CC=C1CN2C(=C(C(=N2)C)N3C(=O)C4CCCCC4C3=O)C
InChI=1SC21H25N3O2c113845916(13)122315(3)19(14(2)2223)2420(25)1710671118(17)21(24)26h45891718H671012H213H3t1718+
MFCD04136798
O=C1(C@@H)2CCCC(C@@H)2C(=O)N1c1c(C)nn(c1C)Cc1ccccc1C
ZINC000017072938
ZINC17072938
ZINC18166696

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Available files

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