Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546607
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NC1CCCc2c1cccc2
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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 C28H27NO6 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO6/c1-13-24(32)22(15(3)30)26-23(25(13)33)28(4)20(35-26)12-19(31)21(27(28)34)14(2)29-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,12,18,29,32-33H,7,9,11H2,1-4H3/b21-14+/t18?,28-/m0/s1InChIKey
LQNOZTDSJMIUBQ-MNTJUSCKSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1(1234tetrahydronaphthalen1ylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1(1234tetrahydronaphthalen1ylamino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy89bdimethyl2(1((1234tetrahydronaphthalen1yl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
121541754
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NC1CCCc2c1cccc2
InChI=1SC28H27NO6c11324(32)22(15(3)30)2623(25(13)33)28(4)20(3526)1219(31)21(27(28)34)14(2)29181179168561017(16)18h568101218293233H7911H214H3b2114+t18?28m0s1
ZINC000263585726
ZINC000263585727
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