Vitas-M small molecule compound
7-chloro-4'-{[(1,1-dioxidotetrahydrothiophen-3-yl)methyl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551575
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)NCC1CCS(=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 C21H24ClNO7S MW 469.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClNO7S/c1-11-6-13(23-9-12-4-5-31(26,27)10-12)7-16(24)21(11)20(25)17-14(28-2)8-15(29-3)18(22)19(17)30-21/h7-8,11-12,23H,4-6,9-10H2,1-3H3InChIKey
JTNARSCGDUEYGI-UHFFFAOYSA-NSynonyms
(1S6R)7chloro4(((11dioxidotetrahydrothiophen3yl)methyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286064
7chloro3((11dioxothiolan3yl)methylamino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
7chloro4(((11dioxidotetrahydrothiophen3yl)methyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCC1CCS(=O)(=O)C1)Cl
InChI=1SC21H24ClNO7Sc111613(239124531(2627)1012)716(24)21(11)20(25)1714(282)815(293)18(22)19(17)3021h78111223H46910H213H3
MFCD31758213
ZINC000888089513
ZINC000888089516
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