Vitas-M small molecule compound

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

Catalog ID
STK695551
SMILES O=c1[nH][nH]c(n1)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 C9H10N4O MW 190.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H10N4O/c14-9-11-8(12-13-9)6-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H2,11,12,13,14)
InChIKey
CFWMUIJJOPYKFO-UHFFFAOYSA-N
Synonyms
1134331-64-8
1134331648
5((PHENYLAMINO)METHYL)124TRIAZOLIN3ONE
5((phenylamino)methyl)12dihydro3H124triazol3one
5((phenylamino)methyl)1H124triazol3(2H)one
5(anilinomethyl)12dihydro124triazol3one
C1=CC=C(C=C1)NCC2=NC(=O)NN2
InChI=1SC9H10N4Oc149118(12139)6107421357h1510H6H2(H211121314)
MFCD12031081
O=c1(nH)(nH)c(n1)CNc1ccccc1
ZINC000034925642
ZINC34925642

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Available files

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