Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-4'-[(4-methoxyphenyl)amino]-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550530
SMILES COc1ccc(cc1)NC1=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 C23H22ClNO6 MW 443.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO6/c1-12-9-14(25-13-5-7-15(28-2)8-6-13)10-18(26)23(12)22(27)19-16(29-3)11-17(30-4)20(24)21(19)31-23/h5-8,10-12,25H,9H2,1-4H3/t12-,23+/m1/s1InChIKey
NDLGCWCIJSGFKB-SPSFWMDKSA-NSynonyms
(1S6R)7chloro46dimethoxy4((4methoxyphenyl)amino)6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy3(4methoxyanilino)5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy4((4methoxyphenyl)amino)6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125428496
COc1ccc(cc1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
InChI=1SC23H22ClNO6c112914(25135715(282)8613)1018(26)23(12)22(27)1916(293)1117(304)20(24)21(19)3123h58101225H9H214H3t1223+m1s1
ZINC000524729885
ZINC524729885
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