Vitas-M small molecule compound

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

Catalog ID
STL550228
SMILES OC[C@@H]1CCCN1C1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC

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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 C21H24ClNO6 MW 421.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClNO6/c1-11-7-13(23-6-4-5-12(23)10-24)8-16(25)21(11)20(26)17-14(27-2)9-15(28-3)18(22)19(17)29-21/h8-9,11-12,24H,4-7,10H2,1-3H3/t11-,12+,21+/m1/s1
InChIKey
JLFJQXQCUWMSQC-IDFMNXDXSA-N
Synonyms

(1S6R)7chloro4((S)2(hydroxymethyl)pyrrolidin1yl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3((2~(S))2(hydroxymethyl)pyrrolidin1yl)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((2S)2(hydroxymethyl)pyrrolidin1yl)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
132351992
InChI=1SC21H24ClNO6c111713(2364512(23)1024)816(25)21(11)20(26)1714(272)915(283)18(22)19(17)2921h89111224H4710H213H3t1112+21+m1s1
OC(C@@H)1CCCN1C1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
ZINC000828784692

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Available files

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