Vitas-M small molecule compound

(3-amino-1H-1,2,4-triazol-1-yl)[4-(hexyloxy)phenyl]methanone

Catalog ID
STK535928
SMILES CCCCCCOc1ccc(cc1)C(=O)n1cnc(n1)N

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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 C15H20N4O2 MW 288.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N4O2/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(20)19-11-17-15(16)18-19/h6-9,11H,2-5,10H2,1H3,(H2,16,18)
InChIKey
XVSYHKZTGULKDH-UHFFFAOYSA-N
Synonyms

(3AMINO124TRIAZOL1YL)(4HEXOXYPHENYL)METHANONE
(3amino1H124triazol1yl)(4(hexyloxy)phenyl)methanone
(3AZANYL124TRIAZOL1YL)(4HEXOXYPHENYL)METHANONE
3AMINO(124TRIAZOLYL)4HEXYLOXYPHENYLKETONE
CCCCCCOC1=CC=C(C=C1)C(=O)N2C=NC(=N2)N
InChI=1SC15H20N4O2c123451021138612(7913)14(20)19111715(16)1819h6911H2510H21H3(H21618)
MFCD00806637
ZINC000001758833
ZINC01758833
ZINC1758833

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Available files

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