Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-(1-{[2-(5-fluoro-1H-indol-3-yl)ethyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548835
SMILES Fc1ccc2c(c1)c(CCN/C(=C/1\C(=O)C=C3[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O3)C(=O)C)O)/C)c[nH]2
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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 C28H25FN2O6 MW 504.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN2O6/c1-12-24(34)22(14(3)32)26-23(25(12)35)28(4)20(37-26)10-19(33)21(27(28)36)13(2)30-8-7-15-11-31-18-6-5-16(29)9-17(15)18/h5-6,9-11,30-31,34-35H,7-8H2,1-4H3/b21-13+/t28-/m0/s1InChIKey
MUCOTZKJTWQVOW-PPOGSYTESA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1(2(5fluoro1~(H)indol3yl)ethylamino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((2(5fluoro1Hindol3yl)ethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl2(1((2(5fluoro1Hindol3yl)ethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207027
Fc1ccc2c(c1)c(CCNC(=C1C(=O)C=C3(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O3)C(=O)C)O)C)c(nH)2
InChI=1SC28H25FN2O6c11224(34)22(14(3)32)2623(25(12)35)28(4)20(3726)1019(33)21(27(28)36)13(2)3087151131186516(29)917(15)18h5691130313435H78H214H3b2113+t28m0s1
ZINC000253410059
ZINC253410059
Check stock
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Check stock on Vitas-MAvailable files
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