Vitas-M small molecule compound
ethyl 5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK783470
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)SC)C#N)n1cccc1
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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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-4-25-21(24)18-14(2)26-20(23-11-5-6-12-23)17(13-22)19(18)15-7-9-16(27-3)10-8-15/h5-12,19H,4H2,1-3H3InChIKey
SXSLMYAHTLXWRE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N3C=CC=C3)C
ethyl5cyano2methyl4(4(methylsulfanyl)phenyl)6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL5CYANO2METHYL4(4METHYLSULFANYLPHENYL)6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC21H20N2O3Sc142521(24)1814(2)2620(2311561223)17(1322)19(18)157916(273)10815h51219H4H213H3
MFCD06618288
ZINC000004751311
ZINC000004751312
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