Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-(9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]non-3-yl)-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL552292
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CC2(C)CN(CC(C1)(C2O)C)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 C26H33ClN2O6 MW 505.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33ClN2O6/c1-14-7-15(29-12-24(2)10-28(4)11-25(3,13-29)23(24)32)8-18(30)26(14)22(31)19-16(33-5)9-17(34-6)20(27)21(19)35-26/h8-9,14,23,32H,7,10-13H2,1-6H3/t14-,23?,24?,25?,26+/m1/s1InChIKey
ZWWRAHBBCPPOBH-TXHYZJSISA-NSynonyms
(1S6R)7chloro4((1R5S9R)9hydroxy157trimethyl37diazabicyclo(331)nonan3yl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(9hydroxy157trimethyl37diazabicyclo(331)nonan3yl)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4(9hydroxy157trimethyl37diazabicyclo(331)non3yl)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
135640550
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N1CC2(C)CN(CC(C1)(C2O)C)C)Cl
InChI=1SC26H33ClN2O6c114715(291224(2)1028(4)1125(31329)23(24)32)818(30)26(14)22(31)1916(335)917(346)20(27)21(19)3526h89142332H71013H216H3t1423?24?25?26+m1s1
ZINC001547139760
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