Vitas-M small molecule compound
methyl 4-(2-amino-3-cyano-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-4-yl)benzoate
Catalog ID
STK691351
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(=O)sc1c2cccc1)C#N
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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 C21H14N2O4S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O4S/c1-26-20(24)12-8-6-11(7-9-12)16-14(10-22)19(23)27-18-13-4-2-3-5-15(13)28-21(25)17(16)18/h2-9,16H,23H2,1H3InChIKey
DSLIQJVEVWKCHK-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)SC4=CC=CC=C43)N)C#N
InChI=1SC21H14N2O4Sc12620(24)128611(7912)1614(1022)19(23)271813423515(13)2821(25)17(16)18h2916H23H21H3
methyl4(2amino3cyano5oxo4H5Hthiochromeno(43b)pyran4yl)benzoate
methyl4(2amino3cyano5oxo4Hthiochromeno(43b)pyran4yl)benzoate
MFCD08728334
ZINC000008748652
ZINC000008748655
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