Vitas-M small molecule compound
ethyl (5Z)-5-[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)benzylidene]-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371532
SMILES C#CCOc1c(I)cc(cc1OCC)/C=C/1\SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccc(cc1)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 C27H24INO6S MW 617.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24INO6S/c1-5-12-35-24-19(28)13-17(14-20(24)33-6-2)15-21-23(30)22(27(32)34-7-3)26(36-21)29-25(31)18-10-8-16(4)9-11-18/h1,8-11,13-15H,6-7,12H2,2-4H3,(H,29,31)/b21-15-InChIKey
ISALFXSLGNJNBU-QNGOZBTKSA-NSynonyms
C#CCOc1c(I)cc(cc1OCC)C=C1SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccc(cc1)C
CCOC1=C(C(=CC(=C1)C=C2C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C)C(=O)OCC)I)OCC#C
ETHYL(5Z)5((3ETHOXY5IODO4PROP2YNOXYPHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3ethoxy5iodo4(prop2yn1yloxy)benzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(3ETHOXY5IODO4(2PROPYNYLOXY)BENZYLIDENE)2((4METHYLBENZOYL)AMINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC27H24INO6Sc1512352419(28)1317(1420(24)3362)152123(30)22(27(32)3473)26(3621)2925(31)1810816(4)91118h18111315H6712H224H3(H2931)b2115
MFCD03269556
ZINC000008395875
ZINC08395875
ZINC8395875
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.