Vitas-M small molecule compound
1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
Catalog ID
STK769570
SMILES Cc1ccc(cc1)Sc1cc(cc2c1C=Cc1c(O2)cccc1)[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 C21H15NO3S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO3S/c1-14-6-9-17(10-7-14)26-21-13-16(22(23)24)12-20-18(21)11-8-15-4-2-3-5-19(15)25-20/h2-13H,1H3InChIKey
ZUPDHPRTAGVHTH-UHFFFAOYSA-NSynonyms
1((4methylphenyl)sulfanyl)3nitrodibenzo(bf)oxepine
1(4METHYLPHENYLTHIO)3NITRODIBENZO(BF)OXEPIN
4(4METHYLPHENYL)SULFANYL2NITROBENZO(B)(1)BENZOXEPINE
CC1=CC=C(C=C1)SC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)(N+)(=O)(O)
Cc1ccc(cc1)Sc1cc(cc2c1C=Cc1c(O2)cccc1)(N+)(=O)(O)
DIBENZO(BF)OXEPINE3NITRO1PTOLYLSULFANYL
InChI=1SC21H15NO3Sc1146917(10714)26211316(22(23)24)122018(21)11815423519(15)2520h213H1H3
MFCD03409340
ZINC000003622309
ZINC03622309
ZINC3622309
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