Vitas-M small molecule compound
methyl 6-ethyl-2-{[(3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK731496
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)Cn1ccc(n1)[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 C17H20N4O5S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O5S/c1-3-10-4-5-11-12(8-10)27-16(15(11)17(23)26-2)18-14(22)9-20-7-6-13(19-20)21(24)25/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,22)InChIKey
SKZGKANLECYVPP-UHFFFAOYSA-NSynonyms
360573-20-2360573202
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C=CC(=N3)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)Cn1ccc(n1)(N+)(=O)(O)
InChI=1SC17H20N4O5Sc1310451112(810)2716(15(11)17(23)262)1814(22)9207613(1920)21(24)25h6710H3589H212H3(H1822)
methyl6ethyl2(((3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6ethyl2((2(3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6ethyl2(2(3nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD02619974
ZINC000000908846
ZINC000000908848
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