Vitas-M small molecule compound
[5-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]acetonitrile
Catalog ID
STL172204
SMILES N#CCOc1cc(Br)c(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 C22H20BrNO5 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5/c1-27-18-10-12(13(23)11-19(18)28-9-8-24)20-21-14(25)4-2-6-16(21)29-17-7-3-5-15(26)22(17)20/h10-11,20H,2-7,9H2,1H3InChIKey
IFFQPFCKILLJJK-UHFFFAOYSA-NSynonyms
676476-07-6(5bromo4(18dioxo23456789octahydro1Hxanthen9yl)2methoxyphenoxy)acetonitrile
2(5bromo4(18dioxo345679hexahydro2Hxanthen9yl)2methoxyphenoxy)acetonitrile
676476076
COC1=C(C=C(C(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br)OCC#N
InChI=1SC22H20BrNO5c127181012(13(23)1119(18)289824)202114(25)42616(21)291773515(26)22(17)20h101120H279H21H3
MFCD04047467
ZINC000002772264
ZINC02772264
ZINC2772264
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