Vitas-M small molecule compound
N~2~-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}-N-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}glycinamide
Catalog ID
STL547097
SMILES O=C(CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)NCc1onc(n1)C(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 C26H28N4O8 MW 524.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O8/c1-10(2)25-29-17(38-30-25)9-28-16(33)8-27-12(4)18-14(32)7-15-26(6,24(18)36)20-22(35)11(3)21(34)19(13(5)31)23(20)37-15/h7,10,27,34-35H,8-9H2,1-6H3,(H,28,33)/b18-12+/t26-/m0/s1InChIKey
JLBUKKHXTCOPDO-ICCXZJDVSA-NSynonyms
(RE)2((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N((3isopropyl124oxadiazol5yl)methyl)acetamide
110206004
2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)((3propan2yl124oxadiazol5yl)methyl)acetamide
InChI=1SC26H28N4O8c110(2)252917(383025)92816(33)82712(4)1814(32)71526(624(18)36)2022(35)11(3)21(34)19(13(5)31)23(20)3715h710273435H89H216H3(H2833)b1812+t26m0s1
N~2~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N((3(propan2yl)124oxadiazol5yl)methyl)glycinamide
N2((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N((3(PROPAN2YL)124OXADIAZOL5YL)METHYL)GLYCINAMIDE
O=C(CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)NCc1onc(n1)C(C)C
ZINC000253407005
ZINC253407005
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