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Vitas-M small molecule compound

1-(1H-benzotriazol-1-yl)-4-phenoxybutan-1-one

Catalog ID
STK093959
SMILES O=C(n1nnc2c1cccc2)CCCOc1ccccc1

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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 C16H15N3O2 MW 281.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O2/c20-16(11-6-12-21-13-7-2-1-3-8-13)19-15-10-5-4-9-14(15)17-18-19/h1-5,7-10H,6,11-12H2
InChIKey
MDEBWAIPNBDPTP-UHFFFAOYSA-N
Synonyms
548789-57-7
1(1HBENZOTRIAZOL1YL)4PHENOXYBUTAN1ONE
1(BENZOTRIAZOL1YL)4PHENOXYBUTAN1ONE
1BENZOTRIAZOLYL4PHENOXYBUTAN1ONE
548789577
C1=CC=C(C=C1)OCCCC(=O)N2C3=CC=CC=C3N=N2
InChI=1SC16H15N3O2c2016(1161221137213813)19151054914(15)171819h15710H61112H2
MFCD03405605
O=C(n1nnc2c1cccc2)CCCOc1ccccc1
STK093959
ZINC000002990981
ZINC02990981
ZINC2990981

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Available files

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

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