Vitas-M small molecule compound
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK748801
SMILES N#CC1=C(N)OC(=C(C1c1cccc(c1)F)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 C26H25FN4O3S MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN4O3S/c1-13(2)33-26(32)23-21(12-35-25-19(10-28)15(4)14(3)16(5)31-25)34-24(30)20(11-29)22(23)17-7-6-8-18(27)9-17/h6-9,13,22H,12,30H2,1-5H3InChIKey
PQILCDDKINOWFP-UHFFFAOYSA-NSynonyms
330179-89-0330179890
CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F)C(=O)OC(C)C)C
InChI=1SC26H25FN4O3Sc113(2)3326(32)2321(12352519(1028)15(4)14(3)16(5)3125)3424(30)20(1129)22(23)1776818(27)917h691322H1230H215H3
isopropyl6amino5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4(3fluorophenyl)4Hpyran3carboxylate
MFCD00743881
propan2yl6amino5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4(3fluorophenyl)4Hpyran3carboxylate
PROPAN2YL6AMINO5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4(3FLUOROPHENYL)4HPYRAN3CARBOXYLATE
ZINC000001052120
ZINC000001052123
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