Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-(1-{[2-(5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547585
SMILES COc1ccc2c(c1)C(CCN/C(=C/1\C(=O)C=C3[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O3)C(=O)C)O)/C)C(=O)N2
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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 C29H28N2O8 MW 532.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O8/c1-12-24(34)22(14(3)32)26-23(25(12)35)29(4)20(39-26)11-19(33)21(27(29)36)13(2)30-9-8-16-17-10-15(38-5)6-7-18(17)31-28(16)37/h6-7,10-11,16,30,34-35H,8-9H2,1-5H3,(H,31,37)/b21-13+/t16?,29-/m0/s1InChIKey
RRSOMZYJPLJNCY-NCTBRVLJSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1(2(5methoxy2oxo13dihydroindol3yl)ethylamino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((2(5methoxy2oxo23dihydro1Hindol3yl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((2(5methoxy2oxoindolin3yl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110206367
COc1ccc2c(c1)C(CCNC(=C1C(=O)C=C3(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O3)C(=O)C)O)C)C(=O)N2
InChI=1SC29H28N2O8c11224(34)22(14(3)32)2623(25(12)35)29(4)20(3926)1119(33)21(27(29)36)13(2)309816171015(385)6718(17)3128(16)37h67101116303435H89H215H3(H3137)b2113+t16?29m0s1
ZINC000253412675
ZINC000253412676
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.