Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-{1-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]ethylidene}-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546582
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCC1COc2c(O1)cccc2
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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 C27H25NO8 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO8/c1-12-23(31)21(14(3)29)25-22(24(12)32)27(4)19(36-25)9-16(30)20(26(27)33)13(2)28-10-15-11-34-17-7-5-6-8-18(17)35-15/h5-9,15,28,31-32H,10-11H2,1-4H3/b20-13+/t15?,27-/m0/s1InChIKey
TWHCABRHIZBTRV-ZGFMDGHVSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1(23dihydro14benzodioxin3ylmethylamino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((23dihydro14benzodioxin2ylmethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl2(1(((23dihydrobenzo(b)(14)dioxin2yl)methyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207997
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCC1COc2c(O1)cccc2
InChI=1SC27H25NO8c11223(31)21(14(3)29)2522(24(12)32)27(4)19(3625)916(30)20(26(27)33)13(2)281015113417756818(17)3515h5915283132H1011H214H3b2013+t15?27m0s1
ZINC000253413123
ZINC000253413124
Check stock
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