Vitas-M small molecule compound

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

Catalog ID
STK310984
SMILES O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cnn(c1)Cc1ccc(cc1)Cl

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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 C18H18ClN3O2 MW 343.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O2/c19-13-7-5-12(6-8-13)10-21-11-14(9-20-21)22-17(23)15-3-1-2-4-16(15)18(22)24/h5-9,11,15-16H,1-4,10H2/t15-,16+
InChIKey
MLPNHJWSCKAUDM-IYBDPMFKSA-N
Synonyms
1212314-52-7
(3aR7aS)2(1(4chlorobenzyl)1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(1((4chlorophenyl)methyl)pyrazol4yl)3a45677ahexahydroisoindole13dione
1212314527
C1CCC2C(C1)C(=O)N(C2=O)C3=CN(N=C3)CC4=CC=C(C=C4)Cl
InChI=1SC18H18ClN3O2c19137512(6813)10211114(92021)2217(23)15312416(15)18(22)24h59111516H1410H2t1516+
MFCD04136827
O=C1(C@@H)2CCCC(C@@H)2C(=O)N1c1cnn(c1)Cc1ccc(cc1)Cl
ZINC000017071776
ZINC17071776
ZINC18166698

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Available files

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