Vitas-M small molecule compound

5-[(phenylamino)methyl]-2-propyl-1,2-dihydro-3H-1,2,4-triazol-3-one

Catalog ID
STK930475
SMILES CCCn1[nH]c(nc1=O)CNc1ccccc1

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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 C12H16N4O MW 232.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O/c1-2-8-16-12(17)14-11(15-16)9-13-10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3,(H,14,15,17)
InChIKey
VNNVAUZNQQGEOM-UHFFFAOYSA-N
Synonyms
1219558-99-2
1219558992
5((phenylamino)methyl)2propyl12dihydro3H124triazol3one
5((phenylamino)methyl)2propyl1H124triazol3(2H)one
5(anilinomethyl)2propyl1H124triazol3one
CCCn1(nH)c(nc1=O)CNc1ccccc1
CCCN1C(=O)N=C(N1)CNC2=CC=CC=C2
InChI=1SC12H16N4Oc1281612(17)1411(1516)913106435710h3713H289H21H3(H141517)
MFCD16626975
ZINC000040287346
ZINC40287346

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Available files

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