Vitas-M small molecule compound
2-(azepan-1-ylmethyl)-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-4H-pyran-4-one
Catalog ID
STL317844
SMILES COc1ccc(cc1)C(=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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-25-17-8-6-16(7-9-17)20(24)14-27-21-15-26-18(12-19(21)23)13-22-10-4-2-3-5-11-22/h6-9,12,15H,2-5,10-11,13-14H2,1H3InChIKey
UPRDUKXOJYDYOB-UHFFFAOYSA-NSynonyms
1435900-37-01435900370
2(azepan1ylmethyl)5(2(4methoxyphenyl)2oxoethoxy)4Hpyran4one
2(azepan1ylmethyl)5(2(4methoxyphenyl)2oxoethoxy)pyran4one
COC1=CC=C(C=C1)C(=O)COC2=COC(=CC2=O)CN3CCCCCC3
InChI=1SC21H25NO5c125178616(7917)20(24)142721152618(1219(21)23)13221042351122h691215H2510111314H21H3
MFCD23137567
ZINC000095478859
ZINC95478859
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