Vitas-M small molecule compound
ethyl 3-ethyl-2-methyl-8-nitro-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094373
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(cc1)[N+](=O)[O-])CC
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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 C16H19N3O5S MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O5S/c1-4-18-15(25)17-13-10-8-9(19(21)22)6-7-11(10)24-16(18,3)12(13)14(20)23-5-2/h6-8,12-13H,4-5H2,1-3H3,(H,17,25)InChIKey
MAJUSLPWTPYXJJ-UHFFFAOYSA-NSynonyms
CCN1C(=S)NC2C(C1(OC3=C2C=C(C=C3)(N+)(=O)(O))C)C(=O)OCC
CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(cc1)(N+)(=O)(O))CC
ethyl3ethyl2methyl8nitro4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC16H19N3O5Sc141815(25)17131089(19(21)22)6711(10)2416(183)12(13)14(20)2352h681213H45H213H3(H1725)
MFCD15085880
ZINC000100030039
ZINC000104785028
Check stock
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Check stock on Vitas-MAvailable files
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