Vitas-M small molecule compound
ethyl (5Z)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374748
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)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 C26H25NO6S MW 479.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6S/c1-5-14-33-20-13-8-17(15-21(20)31-6-2)16-22-24(28)23(26(29)32-7-3)25(34-22)27-18-9-11-19(30-4)12-10-18/h1,8-13,15-16,27H,6-7,14H2,2-4H3/b22-16-InChIKey
OKZWXVFUZWTRKM-JWGURIENSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(c(c2)OCC)OCC#C)C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)OC)C(=O)OCC)OCC#C
ETHYL(5Z)5((3ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3ethoxy4(prop2yn1yloxy)benzylidene)2((4methoxyphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(3ETHOXY4(2PROPYNYLOXY)BENZYLIDENE)2(4METHOXYANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC26H25NO6Sc1514332013817(1521(20)3162)162224(28)23(26(29)3273)25(3422)271891119(304)121018h1813151627H6714H224H3b2216
MFCD02773788
ZINC000008438407
ZINC08438407
ZINC8438407
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