Vitas-M small molecule compound

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

Catalog ID
STK316759
SMILES COC(=O)c1c(NC(=O)C(n2ncc(c2)[N+](=O)[O-])C)sc2c1CCCC2

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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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-9(19-8-10(7-17-19)20(23)24)14(21)18-15-13(16(22)25-2)11-5-3-4-6-12(11)26-15/h7-9H,3-6H2,1-2H3,(H,18,21)
InChIKey
VGPGVKIYAORNOF-UHFFFAOYSA-N
Synonyms
1005597-65-8
1005597658
CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)N3C=C(C=N3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)C(n2ncc(c2)(N+)(=O)(O))C)sc2c1CCCC2
InChI=1SC16H18N4O5Sc19(19810(71719)20(23)24)14(21)181513(16(22)252)11534612(11)2615h79H36H212H3(H1821)
methyl2((2(4nitro1Hpyrazol1yl)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(4nitropyrazol1yl)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD06197467
ZINC000002763225
ZINC000002763226

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.