Vitas-M small molecule compound
(3'E)-7-chloro-4,6-dimethoxy-6'-methyl-3'-[({3-(methylsulfonyl)-1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propyl}amino)methylidene]-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL551837
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)/C(=C\NC(c2onc(n2)c2ccccn2)CCS(=O)(=O)C)/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 C28H27ClN4O9S MW 631.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN4O9S/c1-14-11-18(34)15(24(35)28(14)25(36)21-19(39-2)12-20(40-3)22(29)23(21)41-28)13-31-17(8-10-43(4,37)38)27-32-26(33-42-27)16-7-5-6-9-30-16/h5-7,9,12-14,17,31H,8,10-11H2,1-4H3/b15-13+InChIKey
QXCGXFQFSDSUCG-FYWRMAATSA-NSynonyms
(1R6RE)7chloro46dimethoxy6methyl3(((3(methylsulfonyl)1(3(pyridin2yl)124oxadiazol5yl)propyl)amino)methylene)3Hspiro(benzofuran21cyclohexane)234trione
(3E)7chloro46dimethoxy6methyl3(((3(methylsulfonyl)1(3(pyridin2yl)124oxadiazol5yl)propyl)amino)methylidene)2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=CNC(c2onc(n2)c2ccccn2)CCS(=O)(=O)C)C1=O)Cl
InChI=1SC28H27ClN4O9Sc1141118(34)15(24(35)28(14)25(36)2119(392)1220(403)22(29)23(21)4128)133117(81043(437)38)273226(334227)1675693016h57912141731H81011H214H3b1513+
MFCD31758281
ZINC001547203740
ZINC001772492901
Check stock
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