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-tricyclo[3.3.1.1~3,7~]dec-1-ylglycinamide
Catalog ID
STL546260
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)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 C30H34N2O7 MW 534.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O7/c1-13-25(36)23(15(3)33)27-24(26(13)37)29(4)20(39-27)8-19(34)22(28(29)38)14(2)31-12-21(35)32-30-9-16-5-17(10-30)7-18(6-16)11-30/h8,16-18,31,36-37H,5-7,9-12H2,1-4H3,(H,32,35)/b22-14+/t16?,17?,18?,29-,30?/m0/s1InChIKey
ASZJOBBZVRICAY-LKQZUGMOSA-NSynonyms
~(N)(1adamantyl)2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)acetamide
110205969
2(((E)1((R)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)N((3S5S7S)ADAMANTAN1YL)ACETAMIDE
InChI=1SC30H34N2O7c11325(36)23(15(3)33)2724(26(13)37)29(4)20(3927)819(34)22(28(29)38)14(2)311221(35)3230916517(1030)718(616)1130h81618313637H57912H214H3(H3235)b2214+t16?17?18?2930?m0s1
N~2~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)Ntricyclo(3311~37~)dec1ylglycinamide
O=C(NC12CC3CC(C2)CC(C1)C3)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253396019
ZINC253396019
Check stock
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Check stock on Vitas-MAvailable files
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