Vitas-M small molecule compound
methyl 2-{[(3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK778766
SMILES COC(=O)c1c(NC(=O)Cn2ccc(n2)[N+](=O)[O-])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 C15H16N4O5S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O5S/c1-24-15(21)13-9-4-2-3-5-10(9)25-14(13)16-12(20)8-18-7-6-11(17-18)19(22)23/h6-7H,2-5,8H2,1H3,(H,16,20)InChIKey
FVIWAWXOCLFGQV-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=CC(=N3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2ccc(n2)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC15H16N4O5Sc12415(21)139423510(9)2514(13)1612(20)8187611(1718)19(22)23h67H258H21H3(H1620)
methyl2(((3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05857087
ZINC000001069384
ZINC01069384
ZINC1069384
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Check stock on Vitas-MAvailable files
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