Vitas-M small molecule compound

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

Catalog ID
STL081459
SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)N=NN2Cc1ccccc1

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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 C18H16N4O2 MW 320.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O2/c1-12-7-9-14(10-8-12)22-17(23)15-16(18(22)24)21(20-19-15)11-13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3
InChIKey
UCUYULHKBQEMBL-UHFFFAOYSA-N
Synonyms

1benzyl5(4methylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3benzyl5(4methylphenyl)3a6adihydropyrrolo(34d)triazole46dione
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC4=CC=CC=C4
InChI=1SC18H16N4O2c1127914(10812)2217(23)1516(18(22)24)21(201915)11135324613h2101516H11H21H3
MFCD14757238
ZINC000006770301
ZINC000101417312

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Available files

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