Vitas-M small molecule compound
ethyl 4-{[(2Z,5Z)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino}-1-(2-oxopropyl)-1H-imidazole-5-carboxylate
Catalog ID
STL439884
SMILES CCOC(=O)c1c(ncn1CC(=O)C)/N=C/1\S/C(=C\C(=O)OC)/C(=O)N1c1ccccc1
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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 C21H20N4O6S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6S/c1-4-31-20(29)17-18(22-12-24(17)11-13(2)26)23-21-25(14-8-6-5-7-9-14)19(28)15(32-21)10-16(27)30-3/h5-10,12H,4,11H2,1-3H3/b15-10-,23-21-InChIKey
VLSJHGGRZFKVGP-USEHHPKASA-NSynonyms
CCOC(=O)C1=C(N=CN1CC(=O)C)N=C2N(C(=O)C(=CC(=O)OC)S2)C3=CC=CC=C3
CCOC(=O)c1c(ncn1CC(=O)C)N=C1SC(=CC(=O)OC)C(=O)N1c1ccccc1
ethyl4(((2Z5Z)5(2methoxy2oxoethylidene)4oxo3phenyl13thiazolidin2ylidene)amino)1(2oxopropyl)1Himidazole5carboxylate
ethyl5((Z)((5Z)5(2methoxy2oxoethylidene)4oxo3phenyl13thiazolidin2ylidene)amino)3(2oxopropyl)imidazole4carboxylate
InChI=1SC21H20N4O6Sc143120(29)1718(221224(17)1113(2)26)232125(148657914)19(28)15(3221)1016(27)303h51012H411H213H3b15102321
MFCD06240078
ZINC000008695016
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