Vitas-M small molecule compound

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

Catalog ID
STL178116
SMILES O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ncn(n1)Cc1ccc(cc1)C

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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 C18H20N4O2 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2/c1-12-6-8-13(9-7-12)10-21-11-19-18(20-21)22-16(23)14-4-2-3-5-15(14)17(22)24/h6-9,11,14-15H,2-5,10H2,1H3/t14-,15+
InChIKey
LHXAXSRXGHCAAB-GASCZTMLSA-N
Synonyms
1053065-72-7
(3aR7aS)2(1((4methylphenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(1(4methylbenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
1053065727
CC1=CC=C(C=C1)CN2C=NC(=N2)N3C(=O)C4CCCCC4C3=O
InChI=1SC18H20N4O2c1126813(9712)1021111918(2021)2216(23)14423515(14)17(22)24h69111415H2510H21H3t1415+
MFCD04058977
O=C1(C@@H)2CCCC(C@@H)2C(=O)N1c1ncn(n1)Cc1ccc(cc1)C
ZINC000006788354
ZINC06788354
ZINC6788354

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Available files

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