Vitas-M small molecule compound
ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374729
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OCC)S/C(=C\c2ccc(c(c2)OCC)OCC#C)/C1=O
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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 C27H27NO6S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6S/c1-5-15-34-21-14-9-18(16-22(21)32-7-3)17-23-25(29)24(27(30)33-8-4)26(35-23)28-19-10-12-20(13-11-19)31-6-2/h1,9-14,16-17,28H,6-8,15H2,2-4H3/b23-17-InChIKey
VYTLZRLSRVQFEX-QJOMJCCJSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OCC)SC(=Cc2ccc(c(c2)OCC)OCC#C)C1=O
CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OCC)S2)C(=O)OCC
ethyl(5Z)2((4ethoxyphenyl)amino)5(3ethoxy4(prop2yn1yloxy)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2(4ETHOXYANILINO)5((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2(4ETHOXYANILINO)5(3ETHOXY4(2PROPYNYLOXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC27H27NO6Sc1515342114918(1622(21)3273)172325(29)24(27(30)3384)26(3523)2819101220(131119)3162h1914161728H6815H224H3b2317
MFCD02637615
ZINC000002972589
ZINC02972589
ZINC2972589
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