Vitas-M small molecule compound

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

Catalog ID
STL550151
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N(C)C)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 C18H20ClNO5 MW 365.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClNO5/c1-9-6-10(20(2)3)7-13(21)18(9)17(22)14-11(23-4)8-12(24-5)15(19)16(14)25-18/h7-9H,6H2,1-5H3/t9-,18+/m1/s1
InChIKey
JQEUZYNMXMWLSO-LZVRBXCZSA-N
Synonyms

(1S6R)7chloro4(dimethylamino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(dimethylamino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4(dimethylamino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125430369
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N(C)C)Cl
InChI=1SC18H20ClNO5c19610(20(2)3)713(21)18(9)17(22)1411(234)812(245)15(19)16(14)2518h79H6H215H3t918+m1s1
ZINC000524731756
ZINC524731756

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Available files

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