Vitas-M small molecule compound
ethyl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK828551
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCC(C2)C
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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 C19H24N4O5S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O5S/c1-5-28-19(25)16-13-7-6-10(2)8-14(13)29-18(16)20-15(24)9-22-12(4)17(23(26)27)11(3)21-22/h10H,5-9H2,1-4H3,(H,20,24)InChIKey
JPIBZFDZSSOTHC-UHFFFAOYSA-NSynonyms
355805-27-5355805275
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCC(C2)C
ethyl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(35dimethyl4nitro1Hpyrazol1yl)acetamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC19H24N4O5Sc152819(25)16137610(2)814(13)2918(16)2015(24)92212(4)17(23(26)27)11(3)2122h10H59H214H3(H2024)
MFCD01243818
ZINC000000845136
ZINC000000845137
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