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-(propan-2-yloxy)benzoic acid
Catalog ID
STL549947
SMILES CC(Oc1ccc(cc1N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)C(=O)O)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 C28H27NO9 MW 521.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO9/c1-11(2)37-18-8-7-15(27(35)36)9-16(18)29-13(4)20-17(31)10-19-28(6,26(20)34)22-24(33)12(3)23(32)21(14(5)30)25(22)38-19/h7-11,29,32-33H,1-6H3,(H,35,36)/b20-13+/t28-/m0/s1InChIKey
DDCASWKZKINDSB-JVELKTRGSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)4isopropoxybenzoicacid
132351942
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)4propan2yloxybenzoicacid
3(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)4(propan2yloxy)benzoicacid
CC(Oc1ccc(cc1NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C(=O)O)C
InChI=1SC28H27NO9c111(2)37188715(27(35)36)916(18)2913(4)2017(31)101928(626(20)34)2224(33)12(3)23(32)21(14(5)30)25(22)3819h711293233H16H3(H3536)b2013+t28m0s1
ZINC000821995639
Check stock
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Check stock on Vitas-MAvailable files
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