Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-({3-[methyl(phenyl)amino]propyl}amino)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551304
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCCN(c1ccccc1)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 C26H29ClN2O5 MW 484.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O5/c1-16-13-17(28-11-8-12-29(2)18-9-6-5-7-10-18)14-21(30)26(16)25(31)22-19(32-3)15-20(33-4)23(27)24(22)34-26/h5-7,9-10,14-16,28H,8,11-13H2,1-4H3/t16-,26+/m1/s1InChIKey
NGAVHXURKPMCFU-DXPJPUQTSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((3(methyl(phenyl)amino)propyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(3(~(N)methylanilino)propylamino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((3(methyl(phenyl)amino)propyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253068
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCCN(c1ccccc1)C)Cl
InChI=1SC26H29ClN2O5c1161317(281181229(2)1896571018)1421(30)26(16)25(31)2219(323)1520(334)23(27)24(22)3426h57910141628H81113H214H3t1626+m1s1
ZINC000604405215
ZINC604405215
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