Vitas-M small molecule compound

propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate

Catalog ID
STK748803
SMILES N#CC1=C(N)OC(=C(C1c1ccccc1OC)C(=O)OC(C)C)CSc1nc(C)c(c(c1C#N)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 C27H28N4O4S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S/c1-14(2)34-27(32)24-22(13-36-26-19(11-28)16(4)15(3)17(5)31-26)35-25(30)20(12-29)23(24)18-9-7-8-10-21(18)33-6/h7-10,14,23H,13,30H2,1-6H3
InChIKey
KRSYKDUMPHLAGH-UHFFFAOYSA-N
Synonyms
339582-42-2
339582422
CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC)C(=O)OC(C)C)C
InChI=1SC27H28N4O4Sc114(2)3427(32)2422(13362619(1128)16(4)15(3)17(5)3126)3525(30)20(1229)23(24)189781021(18)336h7101423H1330H216H3
isopropyl6amino5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4(2methoxyphenyl)4Hpyran3carboxylate
MFCD00743885
propan2yl6amino5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4(2methoxyphenyl)4Hpyran3carboxylate
PROPAN2YL6AMINO5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4(2METHOXYPHENYL)4HPYRAN3CARBOXYLATE
ZINC000008934316
ZINC000008934317

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Available files

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