Vitas-M small molecule compound

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

Catalog ID
STL389276
SMILES CCC(NC(=O)c1nn(nc1CO)c1ccc(cc1)CC)CO

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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 C16H22N4O3 MW 318.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O3/c1-3-11-5-7-13(8-6-11)20-18-14(10-22)15(19-20)16(23)17-12(4-2)9-21/h5-8,12,21-22H,3-4,9-10H2,1-2H3,(H,17,23)
InChIKey
CXOAIGZKMPZZEC-UHFFFAOYSA-N
Synonyms

2(4ethylphenyl)N(1hydroxybutan2yl)5(hydroxymethyl)2H123triazole4carboxamide
2(4ethylphenyl)N(1hydroxybutan2yl)5(hydroxymethyl)triazole4carboxamide
CCC1=CC=C(C=C1)N2N=C(C(=N2)C(=O)NC(CC)CO)CO
InChI=1SC16H22N4O3c13115713(8611)201814(1022)15(1920)16(23)1712(42)921h58122122H34910H212H3(H1723)
MFCD14814911
ZINC000021173196
ZINC000021173203

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Available files

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