Vitas-M small molecule compound

ethyl (5Z)-5-(3-hydroxy-4-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK024123
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)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 C21H19NO5S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S/c1-3-27-21(25)18-19(24)17(12-13-9-10-16(26-2)15(23)11-13)28-20(18)22-14-7-5-4-6-8-14/h4-12,22-23H,3H2,1-2H3/b17-12-
InChIKey
JPQILKKBPBXRTK-ATVHPVEESA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)O)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OC)O)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((3HYDROXY4METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3HYDROXY4METHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H19NO5Sc132721(25)1819(24)17(121391016(262)15(23)1113)2820(18)22147546814h4122223H3H212H3b1712
MFCD02921066
STK024123
ZINC000004561811
ZINC04561811
ZINC4561811

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Available files

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