Vitas-M small molecule compound
1-(2,5-dimethylbenzyl)-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL081466
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=N2)Cc1cc(C)ccc1C
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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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-4-28-17-9-7-16(8-10-17)25-20(26)18-19(21(25)27)24(23-22-18)12-15-11-13(2)5-6-14(15)3/h5-11,18-19H,4,12H2,1-3H3InChIKey
WLYKRQPYXANLHV-UHFFFAOYSA-NSynonyms
1008273-59-31(25DIMETHYLBENZYL)5(4ETHOXYPHENYL)16ADIHYDROPYRROLO(34D)(123)TRIAZOLE46(3AH5H)DIONE
1(25dimethylbenzyl)5(4ethoxyphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1008273593
3((25dimethylphenyl)methyl)5(4ethoxyphenyl)3a6adihydropyrrolo(34d)triazole46dione
CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC4=C(C=CC(=C4)C)C
InChI=1SC21H22N4O3c1428179716(81017)2520(26)1819(21(25)27)24(232218)12151113(2)5614(15)3h5111819H412H213H3
MFCD07655597
ZINC000004483623
ZINC000101167674
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