Vitas-M small molecule compound
propan-2-yl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK958042
SMILES CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCC2)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(2)27-18(24)15-12-6-5-7-13(12)28-17(15)19-14(23)8-21-11(4)16(22(25)26)10(3)20-21/h9H,5-8H2,1-4H3,(H,19,23)InChIKey
AJUVKLXILVAQCT-UHFFFAOYSA-NSynonyms
489408-85-71METHYLETHYL2(((35DIMETHYL4NITRO1HPYRAZOL1YL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
489408857
CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCC2)C
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC(C)C)C)(N+)(=O)(O)
InChI=1SC18H22N4O5Sc19(2)2718(24)151265713(12)2817(15)1914(23)82111(4)16(22(25)26)10(3)2021h9H58H214H3(H1923)
MFCD01920560
propan2yl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
PROPAN2YL2((2(35DIMETHYL4NITROPYRAZOL1YL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ZINC000002746126
ZINC02746126
ZINC2746126
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