Vitas-M small molecule compound
ethyl 4,5-dimethyl-2-{[({(4E)-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}thiophene-3-carboxylate
Catalog ID
STL403870
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3)C)/C(=O)N2CC(C)C)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 C23H29N5O4S2 MW 503.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O4S2/c1-7-32-22(31)19-14(4)15(5)34-20(19)26-18(29)12-33-23-25-17(8-16-9-24-27(6)11-16)21(30)28(23)10-13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,26,29)/b17-8+InChIKey
NXLYXWJEDCTTMI-CAOOACKPSA-NSynonyms
1005661-89-11005661891
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=CC3=CN(N=C3)C)C(=O)N2CC(C)C
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cnn(c3)C)C(=O)N2CC(C)C)sc(c1C)C
ethyl45dimethyl2(((((4E)1(2methylpropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ethyl45dimethyl2((2((4E)1(2methylpropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)thiophene3carboxylate
InChI=1SC23H29N5O4S2c173222(31)1914(4)15(5)3420(19)2618(29)1233232517(81692427(6)1116)21(30)28(23)1013(2)3h891113H71012H216H3(H2629)b178+
MFCD04050311
ZINC000002786121
ZINC02786121
ZINC2786121
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