Vitas-M small molecule compound
ethyl 2-{[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK780044
SMILES CCOC(=O)c1c(NC(=O)CCCn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCC2
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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/c1-4-28-19(25)16-13-7-5-8-14(13)29-18(16)20-15(24)9-6-10-22-12(3)17(23(26)27)11(2)21-22/h4-10H2,1-3H3,(H,20,24)InChIKey
YXOASZWAGGPMFV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCN3C(=C(C(=N3)C)(N+)(=O)(O))C
CCOC(=O)c1c(NC(=O)CCCn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCC2
ethyl2((4(35dimethyl4nitro1Hpyrazol1yl)butanoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2(4(35DIMETHYL4NITROPYRAZOL1YL)BUTANOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC19H24N4O5Sc142819(25)161375814(13)2918(16)2015(24)96102212(3)17(23(26)27)11(2)2122h410H213H3(H2024)
MFCD05859656
ZINC000004593770
ZINC04593770
ZINC4593770
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