Vitas-M small molecule compound
ethyl 2-{[2-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL390487
SMILES CCOC(=O)c1c(NC(=O)C(n2ncc(c2)[N+](=O)[O-])C)sc2c1CCCC2
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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 C17H20N4O5S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O5S/c1-3-26-17(23)14-12-6-4-5-7-13(12)27-16(14)19-15(22)10(2)20-9-11(8-18-20)21(24)25/h8-10H,3-7H2,1-2H3,(H,19,22)InChIKey
XDGZAVGPLZKKNT-UHFFFAOYSA-NSynonyms
496011-01-9496011019
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C=C(C=N3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C(n2ncc(c2)(N+)(=O)(O))C)sc2c1CCCC2
ethyl2((2(4nitro1Hpyrazol1yl)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4nitropyrazol1yl)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H20N4O5Sc132617(23)1412645713(12)2716(14)1915(22)10(2)20911(81820)21(24)25h810H37H212H3(H1922)
MFCD02056527
ZINC000002758207
ZINC000002758208
Check stock
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