Vitas-M small molecule compound

(2E,9bR)-6-acetyl-2-(1-{[2-(3,4-dihydroxyphenyl)ethyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL546902
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCc1ccc(c(c1)O)O

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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 C26H25NO8 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO8/c1-11-22(32)20(13(3)28)24-21(23(11)33)26(4)18(35-24)10-17(31)19(25(26)34)12(2)27-8-7-14-5-6-15(29)16(30)9-14/h5-6,9-10,27,29-30,32-33H,7-8H2,1-4H3/b19-12+/t26-/m0/s1
InChIKey
GTMGUNDXZWZLLX-CTSWPSOHSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1(2(34dihydroxyphenyl)ethylamino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((2(34dihydroxyphenyl)ethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl2(1((34dihydroxyphenethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
110206144
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCc1ccc(c(c1)O)O
InChI=1SC26H25NO8c11122(32)20(13(3)28)2421(23(11)33)26(4)18(3524)1017(31)19(25(26)34)12(2)2787145615(29)16(30)914h569102729303233H78H214H3b1912+t26m0s1
ZINC000253402906
ZINC253402906

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Available files

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