Vitas-M small molecule compound
2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide
Catalog ID
STL006854
SMILES COc1ccc(cc1)CNC(=O)CSc1nc2CCCCCc2c(c1C#N)C(F)(F)F
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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 C22H22F3N3O2S MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O2S/c1-30-15-9-7-14(8-10-15)12-27-19(29)13-31-21-17(11-26)20(22(23,24)25)16-5-3-2-4-6-18(16)28-21/h7-10H,2-6,12-13H2,1H3,(H,27,29)InChIKey
QUYVDAGDRIZLEF-UHFFFAOYSA-NSynonyms
626227-51-82((3cyano4(trifluoromethyl)6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)N((4methoxyphenyl)methyl)acetamide
2((3cyano4(trifluoromethyl)6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)N(4methoxybenzyl)acetamide
2((3cyano4(trifluoromethyl)6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)N(4methoxybenzyl)acetamide
626227518
COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(CCCCC3)C(=C2C#N)C(F)(F)F
InChI=1SC22H22F3N3O2Sc130159714(81015)122719(29)13312117(1126)20(22(2324)25)165324618(16)2821h710H261213H21H3(H2729)
MFCD03697932
ZINC000006136590
ZINC06136590
ZINC6136590
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