Vitas-M small molecule compound

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

Catalog ID
STK311031
SMILES O=C1N(c2ncn(n2)Cc2ccccc2C)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 C18H20N4O2 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2/c1-12-6-2-3-7-13(12)10-21-11-19-18(20-21)22-16(23)14-8-4-5-9-15(14)17(22)24/h2-3,6-7,11,14-15H,4-5,8-10H2,1H3/t14-,15+
InChIKey
ZGLGKDCBFMFLGZ-GASCZTMLSA-N
Synonyms
1052573-73-5
(3aR7aS)2(1(2methylbenzyl)1H124triazol3yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(1((2methylphenyl)methyl)124triazol3yl)3a45677ahexahydroisoindole13dione
1052573735
CC1=CC=CC=C1CN2C=NC(=N2)N3C(=O)C4CCCCC4C3=O
InChI=1SC18H20N4O2c112623713(12)1021111918(2021)2216(23)14845915(14)17(22)24h2367111415H45810H21H3t1415+
MFCD04058914
O=C1N(c2ncn(n2)Cc2ccccc2C)C(=O)(C@@H)2(C@H)1CCCC2
ZINC000006789711
ZINC06789711
ZINC6789711

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Available files

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