Vitas-M small molecule compound

ethyl 2-{[(3-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK779102
SMILES CCOC(=O)c1c(NC(=O)Cn2ccc(n2)[N+](=O)[O-])sc2c1CCCCC2

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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/c1-2-26-17(23)15-11-6-4-3-5-7-12(11)27-16(15)18-14(22)10-20-9-8-13(19-20)21(24)25/h8-9H,2-7,10H2,1H3,(H,18,22)
InChIKey
FMWIIJHPRRLRCM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C=CC(=N3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)Cn2ccc(n2)(N+)(=O)(O))sc2c1CCCCC2
ethyl2(((3nitro1Hpyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(3nitropyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC17H20N4O5Sc122617(23)15116435712(11)2716(15)1814(22)10209813(1920)21(24)25h89H2710H21H3(H1822)
MFCD05858015
ZINC000004698572
ZINC04698572
ZINC4698572

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Available files

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