Vitas-M small molecule compound
methyl (5E)-5-[4-(benzyloxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158453
SMILES COC(=O)C1=C(Nc2ccccc2)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 C26H21NO4S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO4S/c1-30-26(29)23-24(28)22(32-25(23)27-20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)31-17-19-8-4-2-5-9-19/h2-16,27H,17H2,1H3/b22-16+InChIKey
OLJRMDRLLOHXIE-CJLVFECKSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(cc2)OCc2ccccc2)C1=O
COC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C1=O)NC4=CC=CC=C4
InChI=1SC26H21NO4Sc13026(29)2324(28)22(3225(23)2720106371120)1618121421(151318)3117198425919h21627H17H21H3b2216+
METHYL(5E)2ANILINO4OXO5((4PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
METHYL(5E)5(4(BENZYLOXY)BENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679416
ZINC000002902413
ZINC02902413
ZINC2902413
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