Vitas-M small molecule compound

(3aR,7aS)-2-(1-benzyl-5-methyl-1H-pyrazol-3-yl)hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK311147
SMILES O=C1N(c2nn(c(c2)C)Cc2ccccc2)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 C19H21N3O2 MW 323.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O2/c1-13-11-17(20-21(13)12-14-7-3-2-4-8-14)22-18(23)15-9-5-6-10-16(15)19(22)24/h2-4,7-8,11,15-16H,5-6,9-10,12H2,1H3/t15-,16+
InChIKey
RENTYMALCOODSH-IYBDPMFKSA-N
Synonyms
1212286-06-0
(3aR7aS)2(1benzyl5methyl1Hpyrazol3yl)hexahydro1Hisoindole13(2H)dione
(3aR7aS)2(1benzyl5methylpyrazol3yl)3a45677ahexahydroisoindole13dione
1212286060
CC1=CC(=NN1CC2=CC=CC=C2)N3C(=O)C4CCCCC4C3=O
InChI=1SC19H21N3O2c1131117(2021(13)12147324814)2218(23)159561016(15)19(22)24h2478111516H5691012H21H3t1516+
MFCD04059242
O=C1N(c2nn(c(c2)C)Cc2ccccc2)C(=O)(C@@H)2(C@H)1CCCC2
ZINC000017056545
ZINC17056545

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Available files

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