Vitas-M small molecule compound
6-(4-methylphenyl)-1-(2-nitrophenyl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione
Catalog ID
STK769804
SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1N=NN2c1ccccc1[N+](=O)[O-]
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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 C22H19N5O4 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4/c1-11-6-8-12(9-7-11)25-21(28)17-13-10-14(18(17)22(25)29)20-19(13)23-24-26(20)15-4-2-3-5-16(15)27(30)31/h2-9,13-14,17-20H,10H2,1H3InChIKey
FUDXRGXMLQXLPF-UHFFFAOYSA-NSynonyms
6(4methylphenyl)1(2nitrophenyl)3a44a7a88ahexahydro48methano(123)triazolo(45f)isoindole57(1H6H)dione
CC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4N=NN5C6=CC=CC=C6(N+)(=O)(O)
Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1N=NN2c1ccccc1(N+)(=O)(O)
InChI=1SC22H19N5O4c1116812(9711)2521(28)17131014(18(17)22(25)29)2019(13)232426(20)15423516(15)27(30)31h2913141720H10H21H3
MFCD03763689
ZINC000004580498
ZINC000245238193
Check stock
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