Vitas-M small molecule compound
methyl 2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK967592
SMILES COC(=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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-9-7-12(20(23)24)18-19(9)8-13(21)17-15-14(16(22)25-2)10-5-3-4-6-11(10)26-15/h7H,3-6,8H2,1-2H3,(H,17,21)InChIKey
PABSWZNPSWPWIV-UHFFFAOYSA-NSynonyms
355804-87-4355804874
CC1=CC(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2nc(cc2C)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC16H18N4O5Sc19712(20(23)24)1819(9)813(21)171514(16(22)252)10534611(10)2615h7H368H212H3(H1721)
methyl2(((5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(5methyl3nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01243810
ZINC000000845095
ZINC00845095
ZINC845095
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