Vitas-M small molecule compound
2-{[6-(azepan-1-ylmethyl)-4-oxo-4H-pyran-3-yl]oxy}-N-[3-(methylsulfanyl)phenyl]acetamide
Catalog ID
STL313729
SMILES CSc1cccc(c1)NC(=O)COc1coc(cc1=O)CN1CCCCCC1
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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 C21H26N2O4S MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S/c1-28-18-8-6-7-16(11-18)22-21(25)15-27-20-14-26-17(12-19(20)24)13-23-9-4-2-3-5-10-23/h6-8,11-12,14H,2-5,9-10,13,15H2,1H3,(H,22,25)InChIKey
TZZLMBXFLKOFNX-UHFFFAOYSA-NSynonyms
1401567-95-01401567950
2((6(azepan1ylmethyl)4oxo4Hpyran3yl)oxy)N(3(methylsulfanyl)phenyl)acetamide
2((6(azepan1ylmethyl)4oxo4Hpyran3yl)oxy)N(3(methylthio)phenyl)acetamide
2(6(azepan1ylmethyl)4oxopyran3yl)oxyN(3methylsulfanylphenyl)acetamide
CSC1=CC=CC(=C1)NC(=O)COC2=COC(=CC2=O)CN3CCCCCC3
InChI=1SC21H26N2O4Sc1281886716(1118)2221(25)152720142617(1219(20)24)1323942351023h68111214H259101315H21H3(H2225)
MFCD22585979
ZINC000079495499
ZINC79495499
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