Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-{1-[(1-hydroxypropan-2-yl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547805
SMILES OCC(N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)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 C21H23NO7 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO7/c1-8(7-23)22-10(3)14-12(25)6-13-21(5,20(14)28)16-18(27)9(2)17(26)15(11(4)24)19(16)29-13/h6,8,22-23,26-27H,7H2,1-5H3/b14-10+/t8?,21-/m0/s1InChIKey
BRVZONRXRINYIX-XLIBHOSGSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1(1hydroxypropan2ylamino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((1hydroxypropan2yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((1hydroxypropan2yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541216
InChI=1SC21H23NO7c18(723)2210(3)1412(25)61321(520(14)28)1618(27)9(2)17(26)15(11(4)24)19(16)2913h6822232627H7H215H3b1410+t8?21m0s1
OCC(NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C
ZINC000263584868
ZINC000263584869
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