Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-{1-[(3-phenoxybenzyl)amino]ethylidene}dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547724
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCc1cccc(c1)Oc1ccccc1
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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 C31H27NO7 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO7/c1-16-27(35)25(18(3)33)29-26(28(16)36)31(4)23(39-29)14-22(34)24(30(31)37)17(2)32-15-19-9-8-12-21(13-19)38-20-10-6-5-7-11-20/h5-14,32,35-36H,15H2,1-4H3/b24-17+/t31-/m0/s1InChIKey
XSBLXRIBHINXBO-RZMWZYTASA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((3phenoxyphenyl)methylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((3phenoxybenzyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1((3phenoxybenzyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
110206297
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCc1cccc(c1)Oc1ccccc1
InChI=1SC31H27NO7c11627(35)25(18(3)33)2926(28(16)36)31(4)23(3929)1422(34)24(30(31)37)17(2)321519981221(1319)3820106571120h514323536H15H214H3b2417+t31m0s1
ZINC000253414519
ZINC253414519
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