Vitas-M small molecule compound

3-azido-2-(4-phenylbutan-2-yl)-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK061866
SMILES [N-]=[N+]=NC1N(C(CCc2ccccc2)C)C(=O)c2c1cccc2

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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 C18H18N4O MW 306.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O/c1-13(11-12-14-7-3-2-4-8-14)22-17(20-21-19)15-9-5-6-10-16(15)18(22)23/h2-10,13,17H,11-12H2,1H3
InChIKey
FEJJGCPVFIJXGV-UHFFFAOYSA-N
Synonyms

(N)=(N+)=NC1N(C(CCc2ccccc2)C)C(=O)c2c1cccc2
3AZIDO2(4PHENYLBUTAN2YL)23DIHYDRO1HISOINDOL1ONE
3azido2(4phenylbutan2yl)3Hisoindol1one
CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)N=(N+)=(N)
InChI=1SC18H18N4Oc113(1112147324814)2217(202119)159561016(15)18(22)23h2101317H1112H21H3
MFCD03033253
STK061866
ZINC000009553606
ZINC000020146102

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Available files

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