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-cyclohexylglycinamide

Catalog ID
STL546505
SMILES O=C(NC1CCCCC1)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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-12-22(32)20(14(3)29)24-21(23(12)33)26(4)17(35-24)10-16(30)19(25(26)34)13(2)27-11-18(31)28-15-8-6-5-7-9-15/h10,15,27,32-33H,5-9,11H2,1-4H3,(H,28,31)/b19-13+/t26-/m0/s1
InChIKey
ZBFJIOSGNBHHME-WGKDYUSESA-N
Synonyms

(RE)2((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)Ncyclohexylacetamide
110208025
2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)cyclohexylacetamide
InChI=1SC26H30N2O7c11222(32)20(14(3)29)2421(23(12)33)26(4)17(3524)1016(30)19(25(26)34)13(2)271118(31)28158657915h1015273233H5911H214H3(H2831)b1913+t26m0s1
N~2~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)Ncyclohexylglycinamide
N2((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)NCYCLOHEXYLGLYCINAMIDE
O=C(NC1CCCCC1)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253414915
ZINC253414915

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Available files

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