Vitas-M small molecule compound
3-nitro-1-(phenylsulfanyl)dibenzo[b,f]oxepine
Catalog ID
STK769777
SMILES [O-][N+](=O)c1cc(Sc2ccccc2)c2c(c1)Oc1ccccc1C=C2
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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 C20H13NO3S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13NO3S/c22-21(23)15-12-19-17(11-10-14-6-4-5-9-18(14)24-19)20(13-15)25-16-7-2-1-3-8-16/h1-13HInChIKey
LZKVZCSMIAEIAC-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(Sc2ccccc2)c2c(c1)Oc1ccccc1C=C2
2NITRO4PHENYLSULFANYLBENZO(B)(1)BENZOXEPINE
3nitro1(phenylsulfanyl)dibenzo(bf)oxepine
3NITRO1PHENYLTHIODIBENZO(BF)OXEPIN
C1=CC=C(C=C1)SC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)(N+)(=O)(O)
InChI=1SC20H13NO3Sc2221(23)15121917(111014645918(14)2419)20(1315)25167213816h113H
MFCD03763645
ZINC000003622540
ZINC03622540
ZINC3622540
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