Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({2-[(2-hydroxyethyl)sulfanyl]ethyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548004
SMILES OCCSCCN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C
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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 C22H25NO7S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO7S/c1-10-18(27)16(12(3)25)20-17(19(10)28)22(4)14(30-20)9-13(26)15(21(22)29)11(2)23-5-7-31-8-6-24/h9,23-24,27-28H,5-8H2,1-4H3/b15-11+/t22-/m0/s1InChIKey
WRBPIYKXPAKWQO-QMUTUGEISA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1(2(2hydroxyethylsulfanyl)ethylamino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((2((2hydroxyethyl)sulfanyl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((2((2hydroxyethyl)thio)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110206913
InChI=1SC22H25NO7Sc11018(27)16(12(3)25)2017(19(10)28)22(4)14(3020)913(26)15(21(22)29)11(2)2357318624h923242728H58H214H3b1511+t22m0s1
OCCSCCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253414182
ZINC253414182
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