Vitas-M small molecule compound
ethyl (5Z)-5-[3-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374710
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccc(c(c2)OC)OCC(=O)OC)/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 C25H25NO7S MW 483.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO7S/c1-5-32-25(29)22-23(28)20(34-24(22)26-17-9-6-15(2)7-10-17)13-16-8-11-18(19(12-16)30-3)33-14-21(27)31-4/h6-13,26H,5,14H2,1-4H3/b20-13-InChIKey
NLHPDWHNMGHYKE-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccc(c(c2)OC)OCC(=O)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC(=O)OC)OC)C1=O)NC3=CC=C(C=C3)C
ETHYL(5Z)5((3METHOXY4(2METHOXY2OXOETHOXY)PHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3methoxy4(2methoxy2oxoethoxy)benzylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(3METHOXY4(2METHOXY2OXOETHOXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC25H25NO7Sc153225(29)2223(28)20(3424(22)26179615(2)71017)131681118(19(1216)303)331421(27)314h61326H514H214H3b2013
MFCD02774218
ZINC000008438428
ZINC08438428
ZINC8438428
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