Vitas-M small molecule compound

N-(butan-2-yl)-2-(4-ethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide

Catalog ID
STL389273
SMILES CCC(NC(=O)c1nn(nc1CO)c1ccc(cc1)CC)C

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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 C16H22N4O2 MW 302.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O2/c1-4-11(3)17-16(22)15-14(10-21)18-20(19-15)13-8-6-12(5-2)7-9-13/h6-9,11,21H,4-5,10H2,1-3H3,(H,17,22)
InChIKey
TVQIOUGXGHOSDX-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)N2N=C(C(=N2)C(=O)NC(C)CC)CO
InChI=1SC16H22N4O2c1411(3)1716(22)1514(1021)1820(1915)138612(52)7913h691121H4510H213H3(H1722)
MFCD14814908
N(butan2yl)2(4ethylphenyl)5(hydroxymethyl)2H123triazole4carboxamide
Nbutan2yl2(4ethylphenyl)5(hydroxymethyl)triazole4carboxamide
ZINC000021173172
ZINC000021173178

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Available files

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