Vitas-M small molecule compound
methyl 2-{[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Catalog ID
STK535938
SMILES COC(=O)c1c(/N=C/c2cc(cc(c2O)OC)[N+](=O)[O-])sc2c1CCN(C2)C
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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 C18H19N3O6S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O6S/c1-20-5-4-12-14(9-20)28-17(15(12)18(23)27-3)19-8-10-6-11(21(24)25)7-13(26-2)16(10)22/h6-8,22H,4-5,9H2,1-3H3/b19-8+InChIKey
GWSVIZDMZUENNI-UFWORHAWSA-NSynonyms
381716-56-9(E)methyl2((2hydroxy3methoxy5nitrobenzylidene)amino)6methyl4567tetrahydrothieno(23c)pyridine3carboxylate
2methoxy6((E)(3methoxycarbonyl6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)iminomethyl)4nitrophenolate
381716569
C(NH+)1CCC2=C(C1)SC(=C2C(=O)OC)N=CC3=CC(=CC(=C3(O))OC)(N+)(=O)(O)
COC(=O)c1c(N=Cc2cc(cc(c2O)OC)(N+)(=O)(O))sc2c1CCN(C2)C
InChI=1SC18H19N3O6Sc120541214(920)2817(15(12)18(23)273)19810611(21(24)25)713(262)16(10)22h6822H459H213H3b198+
methyl2(((E)(2hydroxy3methoxy5nitrophenyl)methylidene)amino)6methyl4567tetrahydrothieno(23c)pyridine3carboxylate
MFCD01147616
ZINC000002309004
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