Vitas-M small molecule compound
ethyl (5Z)-5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371515
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(Cl)c(c(c2)OCC)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 C22H20ClNO5S MW 445.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5S/c1-3-28-16-11-13(10-15(23)19(16)25)12-17-20(26)18(22(27)29-4-2)21(30-17)24-14-8-6-5-7-9-14/h5-12,24-25H,3-4H2,1-2H3/b17-12-InChIKey
FYWTZAPCAWNYAE-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(c(c2)OCC)O)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC)Cl)O
ETHYL(5Z)2ANILINO5((3CHLORO5ETHOXY4HYDROXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro5ethoxy4hydroxybenzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC22H20ClNO5Sc1328161113(1015(23)19(16)25)121720(26)18(22(27)2942)21(3017)24148657914h5122425H34H212H3b1712
MFCD03269853
ZINC000003462838
ZINC03462838
ZINC3462838
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