Vitas-M small molecule compound

ethyl (5Z)-5-[3-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL380515
SMILES C=CCOc1c(Cl)cc(cc1OC)/C=C/1\SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccccc1

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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 C25H22ClNO6S MW 499.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClNO6S/c1-4-11-33-22-17(26)12-15(13-18(22)31-3)14-19-21(28)20(25(30)32-5-2)24(34-19)27-23(29)16-9-7-6-8-10-16/h4,6-10,12-14H,1,5,11H2,2-3H3,(H,27,29)/b19-14-
InChIKey
ZFEPEGFVCNAHKF-RGEXLXHISA-N
Synonyms

C=CCOc1c(Cl)cc(cc1OC)C=C1SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccccc1
CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)Cl)OCC=C)OC)C1=O)NC(=O)C3=CC=CC=C3
ETHYL(5Z)2BENZAMIDO5((3CHLORO5METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro5methoxy4(prop2en1yloxy)benzylidene)4oxo2((phenylcarbonyl)amino)45dihydrothiophene3carboxylate
InChI=1SC25H22ClNO6Sc1411332217(26)1215(1318(22)313)141921(28)20(25(30)3252)24(3419)2723(29)1697681016h46101214H1511H223H3(H2729)b1914
MFCD03722852
ZINC000006489631
ZINC06489631
ZINC6489631

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Available files

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