Vitas-M small molecule compound

1-[(1,3-benzoxazol-2-ylsulfanyl)methyl]azepan-2-one

Catalog ID
STK678472
SMILES O=C1CCCCCN1CSc1nc2c(o1)cccc2

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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 C14H16N2O2S MW 276.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O2S/c17-13-8-2-1-5-9-16(13)10-19-14-15-11-6-3-4-7-12(11)18-14/h3-4,6-7H,1-2,5,8-10H2
InChIKey
BZMQSLGHSQDRFS-UHFFFAOYSA-N
Synonyms

1((13benzoxazol2ylsulfanyl)methyl)azepan2one
1(13BENZOXAZOL2YLSULFANYLMETHYL)AZEPAN2ONE
1(BENZOXAZOL2YLTHIOMETHYL)AZAPERHYDROEPIN2ONE
C1CCC(=O)N(CC1)CSC2=NC3=CC=CC=C3O2
InChI=1SC14H16N2O2Sc17138215916(13)1019141511634712(11)1814h3467H125810H2
MFCD03308049
ZINC000000092746
ZINC00092746
ZINC92746

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Available files

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