Vitas-M small molecule compound
ethyl (5Z)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL368899
SMILES CCOc1cc(ccc1OCC#C)/C=C/1\SC(=C(C1=O)C(=O)OCC)Nc1ccccc1
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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 C25H23NO5S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO5S/c1-4-14-31-19-13-12-17(15-20(19)29-5-2)16-21-23(27)22(25(28)30-6-3)24(32-21)26-18-10-8-7-9-11-18/h1,7-13,15-16,26H,5-6,14H2,2-3H3/b21-16-InChIKey
RHUSWSJFPBWFTC-PGMHBOJBSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC)OCC#C
CCOc1cc(ccc1OCC#C)C=C1SC(=C(C1=O)C(=O)OCC)Nc1ccccc1
ETHYL(5Z)2ANILINO5((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3ethoxy4(prop2yn1yloxy)benzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC25H23NO5Sc14143119131217(1520(19)2952)162123(27)22(25(28)3063)24(3221)2618108791118h1713151626H5614H223H3b2116
MFCD05039730
ZINC000009295783
ZINC09295783
ZINC9295783
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