Vitas-M small molecule compound

azepan-1-yl[4-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanone

Catalog ID
STL286454
SMILES CCS(=O)(=O)N1CC(Oc2c1cccc2)C(=O)N1CCCCCC1

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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 C17H24N2O4S MW 352.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N2O4S/c1-2-24(21,22)19-13-16(23-15-10-6-5-9-14(15)19)17(20)18-11-7-3-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3
InChIKey
UPCJWVQJNDHFRY-UHFFFAOYSA-N
Synonyms

azepan1yl(4(ethylsulfonyl)34dihydro2H14benzoxazin2yl)methanone
azepan1yl(4ethylsulfonyl23dihydro14benzoxazin2yl)methanone
CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)N3CCCCCC3
InChI=1SC17H24N2O4Sc1224(2122)191316(23151065914(15)19)17(20)181173481218h5691016H24781113H21H3
MFCD11843349
ZINC000016651099
ZINC000016651101

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Available files

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