Vitas-M small molecule compound
ethyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK315537
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc(c1CC)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 C16H19ClN4O5S MW 414.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN4O5S/c1-5-10-9(4)27-15(12(10)16(23)26-6-2)18-11(22)7-20-8(3)13(17)14(19-20)21(24)25/h5-7H2,1-4H3,(H,18,22)InChIKey
LSIUTKVTTHJWNR-UHFFFAOYSA-NSynonyms
489407-47-8489407478
CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=C(C(=N2)(N+)(=O)(O))Cl)C)C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)(N+)(=O)(O))sc(c1CC)C
ETHYL2(((4CHLORO3NITRO5METHYL1HPYRAZOL1YL)ACETYL)AMINO)4ETHYL5METHYL3THIOPHENECARBOXYLATE
ethyl2(((4chloro5methyl3nitro1Hpyrazol1yl)acetyl)amino)4ethyl5methylthiophene3carboxylate
ETHYL2((2(4CHLORO5METHYL3NITROPYRAZOL1YL)ACETYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC16H19ClN4O5Sc15109(4)2715(12(10)16(23)2662)1811(22)7208(3)13(17)14(1920)21(24)25h57H214H3(H1822)
MFCD01450363
ZINC000000996433
ZINC00996433
ZINC996433
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