Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-({2,3-dichloro-4-[(2-hydroxyethyl)sulfanyl]phenyl}amino)-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551101
SMILES OCCSc1ccc(c(c1Cl)Cl)NC1=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 C24H22Cl3NO6S MW 558.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22Cl3NO6S/c1-11-8-12(28-13-4-5-16(35-7-6-29)21(27)19(13)25)9-17(30)24(11)23(31)18-14(32-2)10-15(33-3)20(26)22(18)34-24/h4-5,9-11,28-29H,6-8H2,1-3H3/t11-,24+/m1/s1InChIKey
ALEPURMGNZPNNS-JNDILOIQSA-NSynonyms
(1S6R)7chloro4((23dichloro4((2hydroxyethyl)thio)phenyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(23dichloro4(2hydroxyethylsulfanyl)anilino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((23dichloro4((2hydroxyethyl)sulfanyl)phenyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253596
InChI=1SC24H22Cl3NO6Sc111812(28134516(357629)21(27)19(13)25)917(30)24(11)23(31)1814(322)1015(333)20(26)22(18)3424h459112829H68H213H3t1124+m1s1
OCCSc1ccc(c(c1Cl)Cl)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
ZINC000604403851
ZINC604403851
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