Vitas-M small molecule compound
methyl 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
STL330045
SMILES COC(=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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-9-5-6-12-13(7-9)28-17(15(12)18(24)27-4)19-14(23)8-21-11(3)16(22(25)26)10(2)20-21/h9H,5-8H2,1-4H3,(H,19,23)InChIKey
ULSRSHSQIAJTBX-UHFFFAOYSA-NSynonyms
355805-30-0355805300
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
COC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCC(C2)C
InChI=1SC18H22N4O5Sc19561213(79)2817(15(12)18(24)274)1914(23)82111(3)16(22(25)26)10(2)2021h9H58H214H3(H1923)
methyl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(2(35dimethyl4nitro1Hpyrazol1yl)acetamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01450484
ZINC000000845140
ZINC000000845141
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