Vitas-M small molecule compound
propan-2-yl 2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL405502
SMILES CC(OC(=O)c1c(NC(=O)Cn2nc(cc2C)[N+](=O)[O-])sc2c1CCCC2)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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-10(2)27-18(24)16-12-6-4-5-7-13(12)28-17(16)19-15(23)9-21-11(3)8-14(20-21)22(25)26/h8,10H,4-7,9H2,1-3H3,(H,19,23)InChIKey
LELQDFQGTUMUFA-UHFFFAOYSA-NSynonyms
355416-73-8355416738
CC(OC(=O)c1c(NC(=O)Cn2nc(cc2C)(N+)(=O)(O))sc2c1CCCC2)C
CC1=CC(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)(N+)(=O)(O)
InChI=1SC18H22N4O5Sc110(2)2718(24)1612645713(12)2817(16)1915(23)92111(3)814(2021)22(25)26h810H479H213H3(H1923)
MFCD01243846
propan2yl2(((5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000845094
ZINC00845094
ZINC845094
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