Vitas-M small molecule compound
ethyl 5-amino-6-cyano-2-methyl-7-(4-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate
Catalog ID
STK779389
SMILES CCOC(=O)c1c(C)sc2c1OC(=C(C2c1ccc(cc1)[N+](=O)[O-])C#N)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 C18H15N3O5S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5S/c1-3-25-18(22)13-9(2)27-16-14(12(8-19)17(20)26-15(13)16)10-4-6-11(7-5-10)21(23)24/h4-7,14H,3,20H2,1-2H3InChIKey
GPDXFMLWAJFHNE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1OC(=C(C2C3=CC=C(C=C3)(N+)(=O)(O))C#N)N)C
CCOC(=O)c1c(C)sc2c1OC(=C(C2c1ccc(cc1)(N+)(=O)(O))C#N)N
ethyl5amino6cyano2methyl7(4nitrophenyl)7Hthieno(32b)pyran3carboxylate
InChI=1SC18H15N3O5Sc132518(22)139(2)271614(12(819)17(20)2615(13)16)104611(7510)21(23)24h4714H320H212H3
MFCD05858503
ZINC000004593332
ZINC000004593333
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