Vitas-M small molecule compound

2-(pyridin-4-yl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one

Catalog ID
STK033918
SMILES O=c1oc(nc2c1c1CCCCCc1s2)c1ccncc1

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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 C16H14N2O2S MW 298.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O2S/c19-16-13-11-4-2-1-3-5-12(11)21-15(13)18-14(20-16)10-6-8-17-9-7-10/h6-9H,1-5H2
InChIKey
VJUYJIMTTPMGKQ-UHFFFAOYSA-N
Synonyms

2(pyridin4yl)6789tetrahydro4H5Hcyclohepta(45)thieno(23d)(13)oxazin4one
2pyridin4yl6789tetrahydro5Hcyclohepta(23)thieno(24b)(13)oxazin4one
C1CCC2=C(CC1)SC3=C2C(=O)OC(=N3)C4=CC=NC=C4
InChI=1SC16H14N2O2Sc191613114213512(11)2115(13)1814(2016)1068179710h69H15H2
MFCD00782588
O=c1oc(nc2c1c1CCCCCc1s2)c1ccncc1
STK033918
ZINC000000035933
ZINC00035933
ZINC35933

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Available files

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