Vitas-M small molecule compound
propyl 2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL405578
SMILES CCCOC(=O)c1c(NC(=O)Cn2nc(cc2C)[N+](=O)[O-])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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-3-8-27-18(24)16-12-6-4-5-7-13(12)28-17(16)19-15(23)10-21-11(2)9-14(20-21)22(25)26/h9H,3-8,10H2,1-2H3,(H,19,23)InChIKey
CRHUKCSAOMSLNL-UHFFFAOYSA-NSynonyms
328277-49-2328277492
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=CC(=N3)(N+)(=O)(O))C
CCCOC(=O)c1c(NC(=O)Cn2nc(cc2C)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC18H22N4O5Sc1382718(24)1612645713(12)2817(16)1915(23)102111(2)914(2021)22(25)26h9H3810H212H3(H1923)
MFCD01449616
propyl2(((5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl2((2(5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002083623
ZINC02083623
ZINC2083623
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