Vitas-M small molecule compound
ethyl 5-(cyclopentylcarbamoyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK403186
SMILES CCOC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)NC1CCCC1
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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 C21H22N4O8S MW 490.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O8S/c1-3-33-21(28)16-11(2)17(19(27)22-13-6-4-5-7-13)34-20(16)23-18(26)12-8-14(24(29)30)10-15(9-12)25(31)32/h8-10,13H,3-7H2,1-2H3,(H,22,27)(H,23,26)InChIKey
NDSWRWIPHQUEAF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCC2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)NC1CCCC1
ethyl5(cyclopentylcarbamoyl)2(((35dinitrophenyl)carbonyl)amino)4methylthiophene3carboxylate
ETHYL5(CYCLOPENTYLCARBAMOYL)2((35DINITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H22N4O8Sc133321(28)1611(2)17(19(27)2213645713)3420(16)2318(26)12814(24(29)30)1015(912)25(31)32h81013H37H212H3(H2227)(H2326)
MFCD03312416
ZINC000015277486
ZINC15277486
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