Vitas-M small molecule compound

(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-(morpholin-4-yl)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione

Catalog ID
STL550299
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CCOCC1)Cl

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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 C20H22ClNO6 MW 407.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO6/c1-11-8-12(22-4-6-27-7-5-22)9-15(23)20(11)19(24)16-13(25-2)10-14(26-3)17(21)18(16)28-20/h9-11H,4-8H2,1-3H3/t11-,20+/m1/s1
InChIKey
POAOOSHGLRWVOC-GIPWTMENSA-N
Synonyms

(1S6R)7chloro46dimethoxy6methyl4morpholino3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3morpholin4ylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(morpholin4yl)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127252668
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N1CCOCC1)Cl
InChI=1SC20H22ClNO6c111812(2246277522)915(23)20(11)19(24)1613(252)1014(263)17(21)18(16)2820h911H48H213H3t1120+m1s1
ZINC000604405076
ZINC604405076

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Available files

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