Vitas-M small molecule compound
(5E)-5-(4-ethoxy-3-iodo-5-methoxybenzylidene)-2-[(4-ethoxyphenyl)amino]-1,3-thiazol-4(5H)-one
Catalog ID
STK330870
SMILES CCOc1ccc(cc1)NC1=NC(=O)/C(=C\c2cc(I)c(c(c2)OC)OCC)/S1
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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 C21H21IN2O4S MW 524.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21IN2O4S/c1-4-27-15-8-6-14(7-9-15)23-21-24-20(25)18(29-21)12-13-10-16(22)19(28-5-2)17(11-13)26-3/h6-12H,4-5H2,1-3H3,(H,23,24,25)/b18-12+InChIKey
GHVGVBLCTWXICL-LDADJPATSA-NSynonyms
(5E)2(4ethoxyanilino)5((4ethoxy3iodo5methoxyphenyl)methylidene)13thiazol4one
(5E)5(4ethoxy3iodo5methoxybenzylidene)2((4ethoxyphenyl)amino)13thiazol4(5H)one
CCOC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)I)OCC)OC)S2
CCOc1ccc(cc1)NC1=NC(=O)C(=Cc2cc(I)c(c(c2)OC)OCC)S1
InChI=1SC21H21IN2O4Sc1427158614(7915)23212420(25)18(2921)12131016(22)19(2852)17(1113)263h612H45H213H3(H232425)b1812+
MFCD09962364
ZINC000097962641
ZINC97962641
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