Vitas-M small molecule compound

5-cyclopropyl-5-methyl-2-(2-methylphenyl)-1,2,4-triazolidin-3-one

Catalog ID
STL482338
SMILES O=C1NC(NN1c1ccccc1C)(C)C1CC1

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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 C13H17N3O MW 231.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O/c1-9-5-3-4-6-11(9)16-12(17)14-13(2,15-16)10-7-8-10/h3-6,10,15H,7-8H2,1-2H3,(H,14,17)
InChIKey
ITHNPXSPGBHJHR-UHFFFAOYSA-N
Synonyms

5cyclopropyl5methyl2(2methylphenyl)124triazolidin3one
CC1=CC=CC=C1N2C(=O)NC(N2)(C)C3CC3
InChI=1SC13H17N3Oc19534611(9)1612(17)1413(21516)107810h361015H78H212H3(H1417)
MFCD30713269
ZINC000334160616
ZINC000334160617

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.