Vitas-M small molecule compound
7-chloro-4'-[(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)amino]-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549564
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)NC1CS(=O)(=O)CC1O)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 C20H22ClNO8S MW 471.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO8S/c1-9-4-10(22-11-7-31(26,27)8-12(11)23)5-15(24)20(9)19(25)16-13(28-2)6-14(29-3)17(21)18(16)30-20/h5-6,9,11-12,22-23H,4,7-8H2,1-3H3InChIKey
OWQSLDZMSKHTBF-UHFFFAOYSA-NSynonyms
(1S6R)7chloro4(((3R4S)4hydroxy11dioxidotetrahydrothiophen3yl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286149
7chloro3((4hydroxy11dioxothiolan3yl)amino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
7chloro4((4hydroxy11dioxidotetrahydrothiophen3yl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N(C@H)1CS(=O)(=O)C(C@H)1O)Cl
InChI=1SC20H22ClNO8Sc19410(2211731(2627)812(11)23)515(24)20(9)19(25)1613(282)614(293)17(21)18(16)3020h56911122223H478H213H3
MFCD31757058
ZINC000888089578
ZINC000888089581
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