Vitas-M small molecule compound

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

Catalog ID
STL551385
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(c(c1)C(=O)C)O)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 C24H22ClNO7 MW 471.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClNO7/c1-11-7-14(26-13-5-6-16(28)15(8-13)12(2)27)9-19(29)24(11)23(30)20-17(31-3)10-18(32-4)21(25)22(20)33-24/h5-6,8-11,26,28H,7H2,1-4H3/t11-,24+/m1/s1
InChIKey
GWAYVGYILHUQER-JNDILOIQSA-N
Synonyms

(1S6R)4((3acetyl4hydroxyphenyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3(3acetyl4hydroxyanilino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)4((3acetyl4hydroxyphenyl)amino)7chloro46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125429632
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(c(c1)C(=O)C)O)Cl
InChI=1SC24H22ClNO7c111714(26135616(28)15(813)12(2)27)919(29)24(11)23(30)2017(313)1018(324)21(25)22(20)3324h568112628H7H214H3t1124+m1s1
ZINC000524731019
ZINC524731019

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Available files

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