Vitas-M small molecule compound
ethyl 2-{[(2E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK756735
SMILES CCOC(=O)c1c(/N=C(/Cn2nnc(n2)[N+](=O)[O-])\C)sc2c1CCC2
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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 C14H16N6O4S MW 364.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N6O4S/c1-3-24-13(21)11-9-5-4-6-10(9)25-12(11)15-8(2)7-19-17-14(16-18-19)20(22)23/h3-7H2,1-2H3/b15-8+InChIKey
DJCOTHLUUCBEOZ-OVCLIPMQSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC2)N=C(C)CN3N=C(N=N3)(N+)(=O)(O)
CCOC(=O)c1c(N=C(Cn2nnc(n2)(N+)(=O)(O))C)sc2c1CCC2
ethyl2(((2E)1(5nitro2Htetrazol2yl)propan2ylidene)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((E)1(5nitrotetrazol2yl)propan2ylideneamino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
InChI=1SC14H16N6O4Sc132413(21)11954610(9)2512(11)158(2)7191714(161819)20(22)23h37H212H3b158+
MFCD01304478
ZINC000008826745
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