Vitas-M small molecule compound

ethyl (5Z)-5-[4-(benzyloxy)benzylidene]-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL382112
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccc(cc2)OCc2ccccc2)/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 C28H25NO4S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4S/c1-3-32-28(31)25-26(30)24(34-27(25)29-22-13-9-19(2)10-14-22)17-20-11-15-23(16-12-20)33-18-21-7-5-4-6-8-21/h4-17,29H,3,18H2,1-2H3/b24-17-
InChIKey
JOTWLLPHULABRJ-ULJHMMPZSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccc(cc2)OCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)C
ETHYL(5Z)2(4METHYLANILINO)4OXO5((4PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ethyl(5Z)5(4(benzyloxy)benzylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(4(BENZYLOXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H25NO4Sc133228(31)2526(30)24(3427(25)292213919(2)101422)1720111523(161220)3318217546821h41729H318H212H3b2417
MFCD02639756
ZINC000008438397
ZINC08438397
ZINC8438397

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Available files

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