Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-{1-[(4-hydroxytetrahydrothiophen-3-yl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546564
SMILES OC1CSCC1N/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 C22H23NO7S MW 445.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO7S/c1-8-18(27)16(10(3)24)20-17(19(8)28)22(4)14(30-20)5-12(25)15(21(22)29)9(2)23-11-6-31-7-13(11)26/h5,11,13,23,26-28H,6-7H2,1-4H3/b15-9+/t11?,13?,22-/m0/s1InChIKey
ZLCUAISAQVPXBL-JSGBZUPDSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1((4hydroxythiolan3yl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((4hydroxytetrahydrothiophen3yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((4hydroxytetrahydrothiophen3yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
121542079
InChI=1SC22H23NO7Sc1818(27)16(10(3)24)2017(19(8)28)22(4)14(3020)512(25)15(21(22)29)9(2)2311631713(11)26h51113232628H67H214H3b159+t11?13?22m0s1
OC1CSCC1NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000263586905
ZINC000263586908
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