Vitas-M small molecule compound

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

Catalog ID
STL405114
SMILES CCOC(=O)c1c(NC(=O)Cn2ncc(c2)[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)15-12-6-4-3-5-7-13(12)27-16(15)19-14(22)10-20-9-11(8-18-20)21(24)25/h8-9H,2-7,10H2,1H3,(H,19,22)
InChIKey
AWRKPXGZZFTRNK-UHFFFAOYSA-N
Synonyms
489410-03-9
489410039
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C=C(C=N3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)Cn2ncc(c2)(N+)(=O)(O))sc2c1CCCCC2
ethyl2(((4nitro1Hpyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(4nitropyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC17H20N4O5Sc122617(23)15126435713(12)2716(15)1914(22)1020911(81820)21(24)25h89H2710H21H3(H1922)
MFCD02008627
ZINC000000672983
ZINC00672983
ZINC672983

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Available files

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