Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({1-[(4-methoxyphenyl)carbonyl]piperidin-4-yl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547546
SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)N/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 C31H32N2O8 MW 560.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O8/c1-15-26(36)24(17(3)34)28-25(27(15)37)31(4)22(41-28)14-21(35)23(29(31)38)16(2)32-19-10-12-33(13-11-19)30(39)18-6-8-20(40-5)9-7-18/h6-9,14,19,32,36-37H,10-13H2,1-5H3/b23-16+/t31-/m0/s1InChIKey
RVSPDHSIGJKLSE-FXRPLLGDSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1((1(4methoxybenzoyl)piperidin4yl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((1((4methoxyphenyl)carbonyl)piperidin4yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((1(4methoxybenzoyl)piperidin4yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
121542255
COc1ccc(cc1)C(=O)N1CCC(CC1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC31H32N2O8c11526(36)24(17(3)34)2825(27(15)37)31(4)22(4128)1421(35)23(29(31)38)16(2)3219101233(131119)30(39)186820(405)9718h691419323637H1013H215H3b2316+t31m0s1
ZINC000263586262
ZINC263586262
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.