Vitas-M small molecule compound

5-methyl-3-[2-(pentyloxy)benzyl]-1,3-benzoxazol-2(3H)-one

Catalog ID
STK895011
SMILES CCCCCOc1ccccc1Cn1c(=O)oc2c1cc(C)cc2

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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 C20H23NO3 MW 325.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3/c1-3-4-7-12-23-18-9-6-5-8-16(18)14-21-17-13-15(2)10-11-19(17)24-20(21)22/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
InChIKey
RUQJIWRFEDZJLD-UHFFFAOYSA-N
Synonyms
874629-99-9
5METHYL3((2PENTOXYPHENYL)METHYL)13BENZOXAZOL2ONE
5METHYL3((2PENTYLOXYPHENYL)METHYL)3HYDROBENZOXAZOL2ONE
5methyl3(2(pentyloxy)benzyl)13benzoxazol2(3H)one
874629999
CCCCCOC1=CC=CC=C1CN2C3=C(C=CC(=C3)C)OC2=O
InChI=1SC20H23NO3c1347122318965816(18)1421171315(2)101119(17)2420(21)22h5681113H3471214H212H3
MFCD04360390
ZINC000005017091
ZINC05017091
ZINC5017091

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Available files

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