Vitas-M small molecule compound
ethyl 2-{[4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK340853
SMILES CCOC(=O)c1c(NC(=O)CCCn2nc(c(c2C)Cl)[N+](=O)[O-])sc(c1C)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 C17H21ClN4O5S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN4O5S/c1-5-27-17(24)13-9(2)11(4)28-16(13)19-12(23)7-6-8-21-10(3)14(18)15(20-21)22(25)26/h5-8H2,1-4H3,(H,19,23)InChIKey
NTOQGOJRPFEZFB-UHFFFAOYSA-NSynonyms
897542-77-7897542777
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C(=C(C(=N2)(N+)(=O)(O))Cl)C
CCOC(=O)c1c(NC(=O)CCCn2nc(c(c2C)Cl)(N+)(=O)(O))sc(c1C)C
ETHYL2((4(4CHLORO3NITRO5METHYL1HPYRAZOL1YL)BUTANOYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
ethyl2((4(4chloro5methyl3nitro1Hpyrazol1yl)butanoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(4(4CHLORO5METHYL3NITROPYRAZOL1YL)BUTANOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2(4(4CHLORO5METHYL3NITROPYRAZOLYL)BUTANOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC17H21ClN4O5Sc152717(24)139(2)11(4)2816(13)1912(23)7682110(3)14(18)15(2021)22(25)26h58H214H3(H1923)
MFCD05029310
ZINC000002601655
ZINC02601655
ZINC2601655
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