Vitas-M small molecule compound

1-(2,5-dimethylbenzyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STL081500
SMILES Cc1ccc(c(c1)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)C)C)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 C21H22N4O2 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2/c1-12-5-6-14(3)16(9-12)11-24-19-18(22-23-24)20(26)25(21(19)27)17-8-7-13(2)15(4)10-17/h5-10,18-19H,11H2,1-4H3
InChIKey
SWXRTGXXIOUDOL-UHFFFAOYSA-N
Synonyms

1(25dimethylbenzyl)5(34dimethylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(34dimethylphenyl)3((25dimethylphenyl)methyl)3a6adihydropyrrolo(34d)triazole46dione
CC1=CC(=C(C=C1)C)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)C)C)N=N2
InChI=1SC21H22N4O2c1125614(3)16(912)11241918(222324)20(26)25(21(19)27)178713(2)15(4)1017h5101819H11H214H3
MFCD14757309
ZINC000006770864
ZINC000101418520

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Available files

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