Vitas-M small molecule compound

ethyl (5E)-2-[(4-chlorophenyl)amino]-5-(4-ethoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK050388
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2ccc(cc2)OCC)/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 C22H20ClNO4S MW 429.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO4S/c1-3-27-17-11-5-14(6-12-17)13-18-20(25)19(22(26)28-4-2)21(29-18)24-16-9-7-15(23)8-10-16/h5-13,24H,3-4H2,1-2H3/b18-13+
InChIKey
RVVCUTSUDHDJGC-QGOAFFKASA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2ccc(cc2)OCC)C1=O
CCOC1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)Cl)C(=O)OCC
ETHYL(5E)2((4CHLOROPHENYL)AMINO)5(4ETHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4CHLOROANILINO)5((4ETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20ClNO4Sc13271711514(61217)131820(25)19(22(26)2842)21(2918)24169715(23)81016h51324H34H212H3b1813+
MFCD08051075
STK050388
ZINC000009434647
ZINC09434647
ZINC9434647

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Available files

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