Vitas-M small molecule compound

5-chloro-3-(3-methylbutyl)-1,3-benzoxazol-2(3H)-one

Catalog ID
STK866687
SMILES CC(CCn1c(=O)oc2c1cc(Cl)cc2)C

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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 C12H14ClNO2 MW 239.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClNO2/c1-8(2)5-6-14-10-7-9(13)3-4-11(10)16-12(14)15/h3-4,7-8H,5-6H2,1-2H3
InChIKey
WQZNVDVIWFPQME-UHFFFAOYSA-N
Synonyms
883279-90-1
5chloro3(3methylbutyl)13benzoxazol2(3H)one
5CHLORO3(3METHYLBUTYL)13BENZOXAZOL2ONE
5CHLORO3(3METHYLBUTYL)3HYDROBENZOXAZOL2ONE
5CHLORO3ISOPENTYLBENZO(D)OXAZOL2(3H)ONE
883279901
CC(C)CCN1C2=C(C=CC(=C2)Cl)OC1=O
InChI=1SC12H14ClNO2c18(2)56141079(13)3411(10)1612(14)15h3478H56H212H3
MFCD07640557
ZINC000005031910
ZINC05031910
ZINC5031910

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Available files

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