Vitas-M small molecule compound
tetramethyl (1Z,3Z)-1-{[4-(ethoxycarbonyl)-1,2,3-thiadiazol-5-yl]amino}buta-1,3-diene-1,2,3,4-tetracarboxylate
Catalog ID
STL439611
SMILES CCOC(=O)c1nnsc1N/C(=C(/C(=C/C(=O)OC)/C(=O)OC)\C(=O)OC)/C(=O)OC
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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 C17H19N3O10S MW 457.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O10S/c1-6-30-17(25)12-13(31-20-19-12)18-11(16(24)29-5)10(15(23)28-4)8(14(22)27-3)7-9(21)26-2/h7,18H,6H2,1-5H3/b8-7-,11-10-InChIKey
ZIFNDSJPULTVFL-NQLNTKRDSA-NSynonyms
CCOC(=O)C1=C(SN=N1)NC(=C(C(=CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
CCOC(=O)c1nnsc1NC(=C(C(=CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC17H19N3O10Sc163017(25)1213(31201912)1811(16(24)295)10(15(23)284)8(14(22)273)79(21)262h718H6H215H3b871110
MFCD06242525
tetramethyl(1Z3Z)1((4(ethoxycarbonyl)123thiadiazol5yl)amino)buta13diene1234tetracarboxylate
tetramethyl(1Z3Z)1((4ethoxycarbonylthiadiazol5yl)amino)buta13diene1234tetracarboxylate
ZINC000101385604
ZINC101385604
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