Vitas-M small molecule compound

ethyl 4-(6-amino-5-cyano-3,3-dimethyl-8-thioxo-4,8-dihydro-1H-pyrano[3,4-c]pyridin-7(3H)-yl)benzoate

Catalog ID
STK600939
SMILES CCOC(=O)c1ccc(cc1)n1c(N)c(C#N)c2c(c1=S)COC(C2)(C)C

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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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-4-25-19(24)12-5-7-13(8-6-12)23-17(22)15(10-21)14-9-20(2,3)26-11-16(14)18(23)27/h5-8H,4,9,11,22H2,1-3H3
InChIKey
ZWOBTOPGHBYHLJ-UHFFFAOYSA-N
Synonyms
904010-33-9
904010339
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=C(C2=S)COC(C3)(C)C)C#N)N
ethyl4(6amino5cyano33dimethyl8sulfanylidene14dihydropyrano(34c)pyridin7yl)benzoate
ethyl4(6amino5cyano33dimethyl8thioxo34dihydro1Hpyrano(34c)pyridin7(8H)yl)benzoate
ethyl4(6amino5cyano33dimethyl8thioxo48dihydro1Hpyrano(34c)pyridin7(3H)yl)benzoate
InChI=1SC20H21N3O3Sc142519(24)125713(8612)2317(22)15(1021)14920(23)261116(14)18(23)27h58H491122H213H3
MFCD08292903
ZINC000006719377
ZINC06719377
ZINC6719377

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Available files

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