Vitas-M small molecule compound
diethyl 3-methyl-5-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK776478
SMILES CCOC(=O)c1c(NC(=O)CCCn2ncc(c2)[N+](=O)[O-])sc(c1C)C(=O)OCC
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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 C18H22N4O7S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O7S/c1-4-28-17(24)14-11(3)15(18(25)29-5-2)30-16(14)20-13(23)7-6-8-21-10-12(9-19-21)22(26)27/h9-10H,4-8H2,1-3H3,(H,20,23)InChIKey
LDJXOKYGPKHWRX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCN2C=C(C=N2)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)CCCn2ncc(c2)(N+)(=O)(O))sc(c1C)C(=O)OCC
diethyl3methyl5((4(4nitro1Hpyrazol1yl)butanoyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5(4(4NITROPYRAZOL1YL)BUTANOYLAMINO)THIOPHENE24DICARBOXYLATE
InChI=1SC18H22N4O7Sc142817(24)1411(3)15(18(25)2952)3016(14)2013(23)768211012(91921)22(26)27h910H48H213H3(H2023)
MFCD05259039
ZINC000012413650
ZINC12413650
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