Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK841436
SMILES COC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCC(C2)C(C)(C)C
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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 C21H28N4O5S MW 448.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O5S/c1-11-18(25(28)29)12(2)24(23-11)10-16(26)22-19-17(20(27)30-6)14-8-7-13(21(3,4)5)9-15(14)31-19/h13H,7-10H2,1-6H3,(H,22,26)InChIKey
ONGGCQFIGCVCSN-UHFFFAOYSA-NSynonyms
355805-20-8355805208
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCC(C2)C(C)(C)C
InChI=1SC21H28N4O5Sc11118(25(28)29)12(2)24(2311)1016(26)221917(20(27)306)148713(21(34)5)915(14)3119h13H710H216H3(H2226)
methyl6(tertbutyl)2(2(35dimethyl4nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01243848
ZINC000000845130
ZINC000000845131
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