Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[(2-methyl-1,3-thiazol-4-yl)methyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550570
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCc1csc(n1)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 C21H21ClN2O5S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O5S/c1-10-5-12(23-8-13-9-30-11(2)24-13)6-16(25)21(10)20(26)17-14(27-3)7-15(28-4)18(22)19(17)29-21/h6-7,9-10,23H,5,8H2,1-4H3/t10-,21+/m1/s1InChIKey
PCKOUGWZYQOSCS-UZJPJQLHSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4(((2methylthiazol4yl)methyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((2methyl13thiazol4yl)methylamino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(((2methyl13thiazol4yl)methyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127252850
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCc1csc(n1)C)Cl
InChI=1SC21H21ClN2O5Sc110512(2381393011(2)2413)616(25)21(10)20(26)1714(273)715(284)18(22)19(17)2921h6791023H58H214H3t1021+m1s1
ZINC000604405051
ZINC604405051
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