Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate
Catalog ID
STK748006
SMILES CCOC(=O)C1=C(CSc2nc(CC)c(cc2C#N)C)OC(=C(C1c1ccccc1OC)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 C26H26N4O4S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4S/c1-5-19-15(3)11-16(12-27)25(30-19)35-14-21-23(26(31)33-6-2)22(18(13-28)24(29)34-21)17-9-7-8-10-20(17)32-4/h7-11,22H,5-6,14,29H2,1-4H3InChIKey
ILLJUBDFURODIY-UHFFFAOYSA-NSynonyms
339187-33-6339187336
CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC)C(=O)OCC)C#N)C
ethyl6amino5cyano2(((3cyano6ethyl5methylpyridin2yl)sulfanyl)methyl)4(2methoxyphenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6ethyl5methylpyridin2yl)thio)methyl)4(2methoxyphenyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO6ETHYL5METHYLPYRIDIN2YL)SULFANYLMETHYL)4(2METHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC26H26N4O4Sc151915(3)1116(1227)25(3019)35142123(26(31)3362)22(18(1328)24(29)3421)179781020(17)324h71122H561429H214H3
MFCD00742693
ZINC000008809596
ZINC000008809597
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