Vitas-M small molecule compound
ethyl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK492973
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)[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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-4-27-18(24)15-12-7-5-6-8-13(12)28-17(15)19-14(23)9-21-11(3)16(22(25)26)10(2)20-21/h4-9H2,1-3H3,(H,19,23)InChIKey
UHRQWJQQSBTKKP-UHFFFAOYSA-NSynonyms
957333-09-4957333094
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCC2
ethyl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H22N4O5Sc142718(24)1512756813(12)2817(15)1914(23)92111(3)16(22(25)26)10(2)2021h49H213H3(H1923)
MFCD06007919
ZINC000001068457
ZINC01068457
ZINC1068457
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