Vitas-M small molecule compound
ethyl (5Z)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374690
SMILES C=CCOc1ccc(cc1OCC)/C=C/1\SC(=C(C1=O)C(=O)OCC)Nc1ccc(cc1)CC
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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 C27H29NO5S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5S/c1-5-15-33-21-14-11-19(16-22(21)31-7-3)17-23-25(29)24(27(30)32-8-4)26(34-23)28-20-12-9-18(6-2)10-13-20/h5,9-14,16-17,28H,1,6-8,15H2,2-4H3/b23-17-InChIKey
NWBACMGENDBFII-QJOMJCCJSA-NSynonyms
C=CCOc1ccc(cc1OCC)C=C1SC(=C(C1=O)C(=O)OCC)Nc1ccc(cc1)CC
CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC(=C(C=C3)OCC=C)OCC)S2)C(=O)OCC
ETHYL(5Z)5((3ETHOXY4PROP2ENOXYPHENYL)METHYLIDENE)2(4ETHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3ethoxy4(prop2en1yloxy)benzylidene)2((4ethylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(4(ALLYLOXY)3ETHOXYBENZYLIDENE)2(4ETHYLANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC27H29NO5Sc15153321141119(1622(21)3173)172325(29)24(27(30)3284)26(3423)282012918(62)101320h5914161728H16815H224H3b2317
MFCD02787531
ZINC000008438411
ZINC08438411
ZINC8438411
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