Vitas-M small molecule compound

ethyl (5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK158389
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(c(c2)OC)O)/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 C22H21NO6S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6S/c1-4-29-22(26)19-20(25)18(12-13-5-10-16(24)17(11-13)28-3)30-21(19)23-14-6-8-15(27-2)9-7-14/h5-12,23-24H,4H2,1-3H3/b18-12-
InChIKey
BZLKKMIPESESSP-PDGQHHTCSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(c(c2)OC)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)OC)C1=O)NC3=CC=C(C=C3)OC
ETHYL(5Z)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4HYDROXY3METHOXYBENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO6Sc142922(26)1920(25)18(121351016(24)17(1113)283)3021(19)23146815(272)9714h5122324H4H213H3b1812
MFCD02774682
ZINC000009721115
ZINC09721115
ZINC9721115

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Available files

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