Vitas-M small molecule compound
ethyl (5Z)-5-[4-(diethylamino)benzylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK053425
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(cc2)N(CC)CC)/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 C25H28N2O4S MW 452.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4S/c1-5-27(6-2)19-12-8-17(9-13-19)16-21-23(28)22(25(29)31-7-3)24(32-21)26-18-10-14-20(30-4)15-11-18/h8-16,26H,5-7H2,1-4H3/b21-16-InChIKey
BRIUEPVJSZJTOH-PGMHBOJBSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)OC)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(cc2)N(CC)CC)C1=O
ETHYL(5Z)5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4(DIETHYLAMINO)BENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC25H28N2O4Sc1527(62)1912817(91319)162123(28)22(25(29)3173)24(3221)2618101420(304)151118h81626H57H214H3b2116
MFCD02221066
STK053425
ZINC000002968893
ZINC02968893
ZINC2968893
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