Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-(1-{[1-(cyclopropylcarbonyl)piperidin-4-yl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548043
SMILES O=C(C1CC1)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 C27H30N2O7 MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7/c1-12-22(32)20(14(3)30)24-21(23(12)33)27(4)18(36-24)11-17(31)19(25(27)34)13(2)28-16-7-9-29(10-8-16)26(35)15-5-6-15/h11,15-16,28,32-33H,5-10H2,1-4H3/b19-13+/t27-/m0/s1InChIKey
HGBOMQGPXXOHPD-OEJOPCPASA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1((1(cyclopropanecarbonyl)piperidin4yl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((1(cyclopropylcarbonyl)piperidin4yl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl2(1((1(cyclopropanecarbonyl)piperidin4yl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541178
InChI=1SC27H30N2O7c11222(32)20(14(3)30)2421(23(12)33)27(4)18(3624)1117(31)19(25(27)34)13(2)28167929(10816)26(35)155615h111516283233H510H214H3b1913+t27m0s1
O=C(C1CC1)N1CCC(CC1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000263585315
ZINC263585315
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.