Vitas-M small molecule compound
ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374727
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OCC)S/C(=C\c2ccc(o2)c2ccc(cc2)F)/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 C26H22FNO5S MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FNO5S/c1-3-31-19-11-9-18(10-12-19)28-25-23(26(30)32-4-2)24(29)22(34-25)15-20-13-14-21(33-20)16-5-7-17(27)8-6-16/h5-15,28H,3-4H2,1-2H3/b22-15-InChIKey
KVXYXMJHGFNYTO-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OCC)SC(=Cc2ccc(o2)c2ccc(cc2)F)C1=O
CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)F)S2)C(=O)OCC
ethyl(5Z)2((4ethoxyphenyl)amino)5((5(4fluorophenyl)furan2yl)methylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2(4ETHOXYANILINO)5((5(4FLUOROPHENYL)FURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2(4ETHOXYANILINO)5((5(4FLUOROPHENYL)2FURYL)METHYLENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC26H22FNO5Sc13311911918(101219)282523(26(30)3242)24(29)22(3425)1520131421(3320)165717(27)8616h51528H34H212H3b2215
MFCD02799963
ZINC000008438406
ZINC08438406
ZINC8438406
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