Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-(1-{[3-(4-chlorophenyl)-4-methylpentyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547173
SMILES Clc1ccc(cc1)C(C(C)C)CCN/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 C30H32ClNO6 MW 538.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO6/c1-14(2)20(18-7-9-19(31)10-8-18)11-12-32-16(4)23-21(34)13-22-30(6,29(23)37)25-27(36)15(3)26(35)24(17(5)33)28(25)38-22/h7-10,13-14,20,32,35-36H,11-12H2,1-6H3/b23-16+/t20?,30-/m0/s1InChIKey
XKFANHBDNWFFMU-UPXSROCYSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1((3(4chlorophenyl)4methylpentyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((3(4chlorophenyl)4methylpentyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9BRE)6ACETYL2(1((3(4CHLOROPHENYL)4METHYLPENTYL)AMINO)ETHYLIDENE)79DIHYDROXY89BDIMETHYLDIBENZO(BD)FURAN13(2H9BH)DIONE
110207345
Clc1ccc(cc1)C(C(C)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC30H32ClNO6c114(2)20(187919(31)10818)11123216(4)2321(34)132230(629(23)37)2527(36)15(3)26(35)24(17(5)33)28(25)3822h710131420323536H1112H216H3b2316+t20?30m0s1
ZINC000253414406
ZINC000253414407
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.