Vitas-M small molecule compound
ethyl (5Z)-5-[3-chloro-4-(prop-2-yn-1-yloxy)benzylidene]-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371538
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Cl)OCC#C)/C1=O)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 C25H20ClNO5S MW 481.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClNO5S/c1-4-12-32-19-11-8-16(13-18(19)26)14-20-22(28)21(25(30)31-5-2)24(33-20)27-23(29)17-9-6-15(3)7-10-17/h1,6-11,13-14H,5,12H2,2-3H3,(H,27,29)/b20-14-InChIKey
BGMSXWGWYKHPJJ-ZHZULCJRSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC#C)Cl)C1=O)NC(=O)C3=CC=C(C=C3)C
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)Cl)OCC#C)C1=O)NC(=O)c1ccc(cc1)C
ETHYL(5Z)5((3CHLORO4PROP2YNOXYPHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro4(prop2yn1yloxy)benzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC25H20ClNO5Sc1412321911816(1318(19)26)142022(28)21(25(30)3152)24(3320)2723(29)179615(3)71017h16111314H512H223H3(H2729)b2014
MFCD03711624
ZINC000009295961
ZINC09295961
ZINC9295961
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