Vitas-M small molecule compound

3-(butylsulfanyl)-1-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one

Catalog ID
STK781693
SMILES CCCCSc1cc2Oc3ccccc3NC(=O)c2c(c1)[N+](=O)[O-]

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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 C17H16N2O4S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4S/c1-2-3-8-24-11-9-13(19(21)22)16-15(10-11)23-14-7-5-4-6-12(14)18-17(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,18,20)
InChIKey
YUNYSIVHRIYKEC-UHFFFAOYSA-N
Synonyms

3(butylsulfanyl)1nitrodibenzo(bf)(14)oxazepin11(10H)one
3BUTYLTHIO1NITRO10HDIBENZO(BF)14OXAZEPIN11ONE
7(BUTYLTHIO)9NITRO11H5OXA11AZA10HDIBENZO(AD)CYCLOHEPTENE10ONE
9BUTYLSULFANYL7NITRO5HBENZO(B)(14)BENZOXAZEPIN6ONE
CCCCSC1=CC2=C(C(=C1)(N+)(=O)(O))C(=O)NC3=CC=CC=C3O2
CCCCSc1cc2Oc3ccccc3NC(=O)c2c(c1)(N+)(=O)(O)
InChI=1SC17H16N2O4Sc12382411913(19(21)22)1615(1011)2314754612(14)1817(16)20h47910H238H21H3(H1820)
MFCD06015524
ZINC000004722428
ZINC04722428
ZINC4722428

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Available files

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