Vitas-M small molecule compound

1-(1H-benzotriazol-1-yl)-3-phenylbutan-1-one

Catalog ID
STK001085
SMILES CC(c1ccccc1)CC(=O)n1nnc2c1cccc2

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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 C16H15N3O MW 265.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O/c1-12(13-7-3-2-4-8-13)11-16(20)19-15-10-6-5-9-14(15)17-18-19/h2-10,12H,11H2,1H3
InChIKey
KXUNOBTVNZPACT-UHFFFAOYSA-N
Synonyms

1(1HBENZOTRIAZOL1YL)3PHENYLBUTAN1ONE
1(3PHENYLBUTANOYL)1HBENZOTRIAZOLE
1(BENZOTRIAZOL1YL)3PHENYLBUTAN1ONE
1BENZOTRIAZOLYL3PHENYLBUTAN1ONE
CC(c1ccccc1)CC(=O)n1nnc2c1cccc2
CC(CC(=O)N1C2=CC=CC=C2N=N1)C3=CC=CC=C3
InChI=1SC16H15N3Oc112(137324813)1116(20)19151065914(15)171819h21012H11H21H3
MFCD03270192
STK001085
ZINC000005880890
ZINC000005881261

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Available files

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