Vitas-M small molecule compound
[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]acetonitrile
Catalog ID
STL426601
SMILES N#CCOc1ccc(cc1OC)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-26-19-12-13(8-9-16(19)27-11-10-23)20-21-14(24)4-2-6-17(21)28-18-7-3-5-15(25)22(18)20/h8-9,12,20H,2-7,11H2,1H3InChIKey
JKVBVROVLSLHJG-UHFFFAOYSA-NSynonyms
(4(18dioxo23456789octahydro1Hxanthen9yl)2methoxyphenoxy)acetonitrile
2(4(18dioxo345679hexahydro2Hxanthen9yl)2methoxyphenoxy)acetonitrile
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC#N
InChI=1SC22H21NO5c126191213(8916(19)27111023)202114(24)42617(21)281873515(25)22(18)20h891220H2711H21H3
MFCD04378825
ZINC000004498471
ZINC04498471
ZINC4498471
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