Vitas-M small molecule compound
3-(2-methoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094384
SMILES COc1ccccc1N1C(=S)NC2CC1(C)Oc1c2cc(cc1)[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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-18-10-13(12-9-11(21(22)23)7-8-15(12)25-18)19-17(26)20(18)14-5-3-4-6-16(14)24-2/h3-9,13H,10H2,1-2H3,(H,19,26)InChIKey
LBVSSZVGYATAHE-UHFFFAOYSA-NSynonyms
3(2methoxyphenyl)2methyl8nitro2356tetrahydro4H26methano135benzoxadiazocine4thione
CC12CC(C3=C(O1)C=CC(=C3)(N+)(=O)(O))NC(=S)N2C4=CC=CC=C4OC
COc1ccccc1N1C(=S)NC2CC1(C)Oc1c2cc(cc1)(N+)(=O)(O)
InChI=1SC18H17N3O4Sc1181013(12911(21(22)23)7815(12)2518)1917(26)20(18)14534616(14)242h3913H10H212H3(H1926)
MFCD05030017
ZINC000002963602
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