Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-{1-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethylidene}dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547365
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCc1nnc2n1cccc2
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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 C25H22N4O6 MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O6/c1-11-21(32)19(13(3)30)23-20(22(11)33)25(4)15(35-23)9-14(31)18(24(25)34)12(2)26-10-17-28-27-16-7-5-6-8-29(16)17/h5-9,26,32-33H,10H2,1-4H3/b18-12+/t25-/m0/s1InChIKey
BLCKSYSJNSXDFF-QAKGTIEWSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((124)triazolo(43a)pyridin3ylmethylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1(((124)triazolo(43a)pyridin3ylmethyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)2(1(((124)triazolo(43a)pyridin3ylmethyl)amino)ethylidene)6acetyl79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
110206519
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCc1nnc2n1cccc2
InChI=1SC25H22N4O6c11121(32)19(13(3)30)2320(22(11)33)25(4)15(3523)914(31)18(24(25)34)12(2)261017282716756829(16)17h59263233H10H214H3b1812+t25m0s1
ZINC000253397438
ZINC253397438
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