Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-{[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]amino}ethylidene)dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547867
SMILES CC(CC(c1nnc2n1cccc2)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)C
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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 C29H30N4O6 MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O6/c1-13(2)11-17(28-32-31-20-9-7-8-10-33(20)28)30-15(4)21-18(35)12-19-29(6,27(21)38)23-25(37)14(3)24(36)22(16(5)34)26(23)39-19/h7-10,12-13,17,30,36-37H,11H2,1-6H3/b21-15+/t17?,29-/m0/s1InChIKey
BTRXLRUTJNDCCY-OSGXFUACSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((3methyl1((124)triazolo(43a)pyridin3yl)butyl)amino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((3methyl1((124)triazolo(43a)pyridin3yl)butyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(9BRE)2(1((1((124)TRIAZOLO(43A)PYRIDIN3YL)3METHYLBUTYL)AMINO)ETHYLIDENE)6ACETYL79DIHYDROXY89BDIMETHYLDIBENZO(BD)FURAN13(2H9BH)DIONE
121542024
CC(CC(c1nnc2n1cccc2)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C
InChI=1SC29H30N4O6c113(2)1117(283231209781033(20)28)3015(4)2118(35)121929(627(21)38)2325(37)14(3)24(36)22(16(5)34)26(23)3919h710121317303637H11H216H3b2115+t17?29m0s1
ZINC000263584879
ZINC000263584880
Check stock
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Check stock on Vitas-MAvailable files
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