Vitas-M small molecule compound

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

Catalog ID
STK311223
SMILES Cc1cccc(c1)Cn1cnc(n1)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 C18H20N4O2 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2/c1-12-5-4-6-13(9-12)10-21-11-19-18(20-21)22-16(23)14-7-2-3-8-15(14)17(22)24/h4-6,9,11,14-15H,2-3,7-8,10H2,1H3/t14-,15+
InChIKey
NEMOIXWIBWGTAM-GASCZTMLSA-N
Synonyms
1052581-49-3
(3aR7aS)2(1(3methylbenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(1((3methylphenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
1052581493
CC1=CC(=CC=C1)CN2C=NC(=N2)N3C(=O)C4CCCCC4C3=O
Cc1cccc(c1)Cn1cnc(n1)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC18H20N4O2c11254613(912)1021111918(2021)2216(23)14723815(14)17(22)24h469111415H237810H21H3t1415+
MFCD04059446
ZINC000006789193
ZINC06789193
ZINC6789193

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Available files

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