Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
Catalog ID
STK747559
SMILES CCOC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1cccnc1)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 C23H21N5O3S MW 447.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O3S/c1-4-30-23(29)20-18(12-32-22-16(9-24)13(2)8-14(3)28-22)31-21(26)17(10-25)19(20)15-6-5-7-27-11-15/h5-8,11,19H,4,12,26H2,1-3H3InChIKey
WGEGZEYQHJJWJY-UHFFFAOYSA-NSynonyms
339163-85-8339163858
CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N
ethyl6amino5cyano2(((3cyano46dimethylpyridin2yl)sulfanyl)methyl)4(pyridin3yl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano46dimethylpyridin2yl)thio)methyl)4(pyridin3yl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4PYRIDIN3YL4HPYRAN3CARBOXYLATE
InChI=1SC23H21N5O3Sc143023(29)2018(12322216(924)13(2)814(3)2822)3121(26)17(1025)19(20)15657271115h581119H41226H213H3
MFCD00742463
ZINC000008809580
ZINC000008809581
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