Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-({2-[(2-hydroxyethyl)sulfanyl]ethyl}amino)-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549308
SMILES OCCSCCNC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
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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 C20H24ClNO6S MW 441.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClNO6S/c1-11-8-12(22-4-6-29-7-5-23)9-15(24)20(11)19(25)16-13(26-2)10-14(27-3)17(21)18(16)28-20/h9-11,22-23H,4-8H2,1-3H3/t11-,20+/m1/s1InChIKey
RXVPOSUKGVDNHH-GIPWTMENSA-NSynonyms
(1S6R)7chloro4((2((2hydroxyethyl)thio)ethyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(2(2hydroxyethylsulfanyl)ethylamino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((2((2hydroxyethyl)sulfanyl)ethyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253633
InChI=1SC20H24ClNO6Sc111812(2246297523)915(24)20(11)19(25)1613(262)1014(273)17(21)18(16)2820h9112223H48H213H3t1120+m1s1
OCCSCCNC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
ZINC000604404786
ZINC604404786
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