Vitas-M small molecule compound
2-benzyl-5-{[(4-methoxyphenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
Catalog ID
STK695569
SMILES COc1ccc(cc1)NCc1nc(=O)n([nH]1)Cc1ccccc1
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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 C17H18N4O2 MW 310.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2/c1-23-15-9-7-14(8-10-15)18-11-16-19-17(22)21(20-16)12-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3,(H,19,20,22)InChIKey
RJQOTNUYAAKHMD-UHFFFAOYSA-NSynonyms
1192655-62-11192655621
2benzyl5(((4methoxyphenyl)amino)methyl)12dihydro3H124triazol3one
2benzyl5(((4methoxyphenyl)amino)methyl)1H124triazol3(2H)one
2benzyl5((4methoxyanilino)methyl)1H124triazol3one
COC1=CC=C(C=C1)NCC2=NC(=O)N(N2)CC3=CC=CC=C3
COc1ccc(cc1)NCc1nc(=O)n((nH)1)Cc1ccccc1
InChI=1SC17H18N4O2c123159714(81015)1811161917(22)21(2016)12135324613h21018H1112H21H3(H192022)
MFCD16623489
ZINC000036559161
ZINC36559161
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