Vitas-M small molecule compound
methyl 2-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK775670
SMILES COC(=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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-25-16(22)14-11-5-3-2-4-6-12(11)26-15(14)18-13(21)9-19-8-10(7-17-19)20(23)24/h7-8H,2-6,9H2,1H3,(H,18,21)InChIKey
YFALPXAGCFLCCK-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C=C(C=N3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2ncc(c2)(N+)(=O)(O))sc2c1CCCCC2
InChI=1SC16H18N4O5Sc12516(22)14115324612(11)2615(14)1813(21)919810(71719)20(23)24h78H269H21H3(H1821)
methyl2(((4nitro1Hpyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2(4nitropyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD05257656
ZINC000004686839
ZINC04686839
ZINC4686839
Check stock
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Check stock on Vitas-MAvailable files
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