Vitas-M small molecule compound

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

Catalog ID
STK695554
SMILES Clc1ccc(cc1)Cn1[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 C16H15ClN4O MW 314.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4O/c17-13-8-6-12(7-9-13)11-21-16(22)19-15(20-21)10-18-14-4-2-1-3-5-14/h1-9,18H,10-11H2,(H,19,20,22)
InChIKey
CYQRZWOQNXJAOB-UHFFFAOYSA-N
Synonyms
1192656-45-3
1192656453
2(4chlorobenzyl)5((phenylamino)methyl)12dihydro3H124triazol3one
2(4chlorobenzyl)5((phenylamino)methyl)1H124triazol3(2H)one
5(anilinomethyl)2((4chlorophenyl)methyl)1H124triazol3one
C1=CC=C(C=C1)NCC2=NC(=O)N(N2)CC3=CC=C(C=C3)Cl
Clc1ccc(cc1)Cn1(nH)c(nc1=O)CNc1ccccc1
InChI=1SC16H15ClN4Oc17138612(7913)112116(22)1915(2021)1018144213514h1918H1011H2(H192022)
MFCD16627615
ZINC000036559146
ZINC36559146

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Available files

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