Vitas-M small molecule compound
7-chloro-3'-[(1,1-dioxido-2,5-dihydrothiophen-3-yl)methyl]-4,6-dimethoxy-1',8'-dimethyl-8',9'-dihydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4',6'(1'H,3'H)-tetrone
Catalog ID
STL551879
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)Cc2c(C1=O)cc1c(n2)n(C)c(=O)n(c1=O)CC1=CCS(=O)(=O)C1)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 C27H24ClN3O9S MW 602.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN3O9S/c1-12-7-16-14(22(32)27(12)23(33)19-17(38-3)9-18(39-4)20(28)21(19)40-27)8-15-24(29-16)30(2)26(35)31(25(15)34)10-13-5-6-41(36,37)11-13/h5,8-9,12H,6-7,10-11H2,1-4H3InChIKey
LQLYYUGVKWNEAS-UHFFFAOYSA-NSynonyms
(2S8R)7chloro3((11dioxido25dihydrothiophen3yl)methyl)46dimethoxy18dimethyl89dihydro1H3Hspiro(benzofuran27pyrimido(45b)quinoline)2346(3H)tetraone
135640210
7chloro3((11dioxido25dihydrothiophen3yl)methyl)46dimethoxy18dimethyl89dihydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)2346(1H3H)tetrone
7chloro3((11dioxo25dihydrothiophen3yl)methyl)46dimethoxy18dimethylspiro(1benzofuran2789dihydropyrimido(45b)quinoline)2346tetrone
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)Cc2c(C1=O)cc1c(n2)n(C)c(=O)n(c1=O)CC1=CCS(=O)(=O)C1)Cl
InChI=1SC27H24ClN3O9Sc11271614(22(32)27(12)23(33)1917(383)918(394)20(28)21(19)4027)81524(2916)30(2)26(35)31(25(15)34)10135641(3637)1113h58912H671011H214H3
MFCD31758292
ZINC001547211050
ZINC001547211060
Check stock
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Check stock on Vitas-MAvailable files
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