Vitas-M small molecule compound
methyl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK837722
SMILES COC(=O)c1c(NC(=O)Cn2nc(c(c2C)[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/c1-9-15(21(24)25)10(2)20(19-9)8-13(22)18-16-14(17(23)26-3)11-6-4-5-7-12(11)27-16/h4-8H2,1-3H3,(H,18,22)InChIKey
UQVCHFFSJWJUBI-UHFFFAOYSA-NSynonyms
355805-26-4355805264
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCC2
InChI=1SC17H20N4O5Sc1915(21(24)25)10(2)20(199)813(22)181614(17(23)263)11645712(11)2716h48H213H3(H1822)
methyl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(35dimethyl4nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01244417
ZINC000000649918
ZINC00649918
ZINC649918
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