Vitas-M small molecule compound

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

Catalog ID
STL081486
SMILES COc1cc(ccc1OC)N1C(=O)C2C(C1=O)N=NN2Cc1cc(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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-12-5-6-13(2)14(9-12)11-24-19-18(22-23-24)20(26)25(21(19)27)15-7-8-16(28-3)17(10-15)29-4/h5-10,18-19H,11H2,1-4H3
InChIKey
LJEKQFDDYGNFRU-UHFFFAOYSA-N
Synonyms
1008648-06-3
1008648063
5(34DIMETHOXYPHENYL)1(25DIMETHYLBENZYL)16ADIHYDROPYRROLO(34D)(123)TRIAZOLE46(3AH5H)DIONE
5(34dimethoxyphenyl)1(25dimethylbenzyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(34dimethoxyphenyl)3((25dimethylphenyl)methyl)3a6adihydropyrrolo(34d)triazole46dione
CC1=CC(=C(C=C1)C)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)OC)N=N2
InChI=1SC21H22N4O4c1125613(2)14(912)11241918(222324)20(26)25(21(19)27)157816(283)17(1015)294h5101819H11H214H3
MFCD07655914
ZINC000004484021
ZINC000101169128

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Available files

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