Vitas-M small molecule compound
(2R,3'E,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-[({3-oxo-3-[2-(pyridin-3-yl)piperidin-1-yl]propyl}amino)methylidene]-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL552149
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C\NCCC(=O)N2CCCCC2c2cccnc2)/C1=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 C30H32ClN3O7 MW 582.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClN3O7/c1-17-13-21(35)19(16-33-11-9-24(36)34-12-5-4-8-20(34)18-7-6-10-32-15-18)28(37)30(17)29(38)25-22(39-2)14-23(40-3)26(31)27(25)41-30/h6-7,10,14-17,20,33H,4-5,8-9,11-13H2,1-3H3/b19-16+/t17-,20?,30+/m1/s1InChIKey
GWCIKNGDUWBHTR-ZDDCBKMWSA-NSynonyms
(1R6RE)7chloro46dimethoxy6methyl3(((3oxo3(2(pyridin3yl)piperidin1yl)propyl)amino)methylene)3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro46dimethoxy6methyl3(((3oxo3(2(pyridin3yl)piperidin1yl)propyl)amino)methylidene)2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=CNCCC(=O)N2CCCCC2c2cccnc2)C1=O)Cl
InChI=1SC30H32ClN3O7c1171321(35)19(163311924(36)341254820(34)187610321518)28(37)30(17)29(38)2522(392)1423(403)26(31)27(25)4130h671014172033H45891113H213H3b1916+t1720?30+m1s1
ZINC001547138789
ZINC001547138813
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