Vitas-M small molecule compound

ethyl 6-methyl-2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL330392
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)[N+](=O)[O-])sc2c1CCC(C2)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/c1-4-27-18(24)16-12-6-5-10(2)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
CYAZTMSVHSHCRT-UHFFFAOYSA-N
Synonyms
355804-88-5
355804885
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=CC(=N3)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)(N+)(=O)(O))sc2c1CCC(C2)C
ethyl6methyl2(((5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((2(5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2(2(5methyl3nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC18H22N4O5Sc142718(24)16126510(2)713(12)2817(16)1915(23)92111(3)814(2021)22(25)26h810H479H213H3(H1923)
MFCD01244412
ZINC000000649908
ZINC000002092703

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Available files

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