Vitas-M small molecule compound
ethyl (5E)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380520
SMILES CCOC(=O)C1=C(S/C(=C/c2ccc(c(c2)OC)OCC#C)/C1=O)NC(=O)c1ccc(cc1)C(C)(C)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 C29H29NO6S MW 519.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO6S/c1-7-15-36-21-14-9-18(16-22(21)34-6)17-23-25(31)24(28(33)35-8-2)27(37-23)30-26(32)19-10-12-20(13-11-19)29(3,4)5/h1,9-14,16-17H,8,15H2,2-6H3,(H,30,32)/b23-17+InChIKey
FLCDXAUKFUKVBF-HAVVHWLPSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC#C)OC)C1=O)NC(=O)C3=CC=C(C=C3)C(C)(C)C
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)OC)OCC#C)C1=O)NC(=O)c1ccc(cc1)C(C)(C)C
ethyl(5E)2(((4tertbutylphenyl)carbonyl)amino)5(3methoxy4(prop2yn1yloxy)benzylidene)4oxo45dihydrothiophene3carboxylate
ethyl(5E)2((4tertbutylbenzoyl)amino)5((3methoxy4prop2ynoxyphenyl)methylidene)4oxothiophene3carboxylate
InChI=1SC29H29NO6Sc1715362114918(1622(21)346)172325(31)24(28(33)3582)27(3723)3026(32)19101220(131119)29(34)5h19141617H815H226H3(H3032)b2317+
MFCD28951077
ZINC000002142908
ZINC2142908
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