Vitas-M small molecule compound
3-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-4-hydroxybenzoic acid
Catalog ID
STL551256
SMILES OC(=O)c1ccc(c(c1)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)O
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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 C25H21NO9 MW 479.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO9/c1-9-20(30)18(11(3)27)22-19(21(9)31)25(4)16(35-22)8-15(29)17(23(25)32)10(2)26-13-7-12(24(33)34)5-6-14(13)28/h5-8,26,28,30-31H,1-4H3,(H,33,34)/b17-10+/t25-/m0/s1InChIKey
FLINLDKQLNWGPY-LWMHEAGWSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)4hydroxybenzoicacid
132352072
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)4hydroxybenzoicacid
3(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)4hydroxybenzoicacid
InChI=1SC25H21NO9c1920(30)18(11(3)27)2219(21(9)31)25(4)16(3522)815(29)17(23(25)32)10(2)2613712(24(33)34)5614(13)28h5826283031H14H3(H3334)b1710+t25m0s1
OC(=O)c1ccc(c(c1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)O
ZINC000828552901
Check stock
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