Vitas-M small molecule compound
ethyl 4-(N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}glycyl)piperazine-1-carboxylate
Catalog ID
STL548081
SMILES CCOC(=O)N1CCN(CC1)C(=O)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 C27H31N3O9 MW 541.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O9/c1-6-38-26(37)30-9-7-29(8-10-30)18(33)12-28-14(3)19-16(32)11-17-27(5,25(19)36)21-23(35)13(2)22(34)20(15(4)31)24(21)39-17/h11,28,34-35H,6-10,12H2,1-5H3/b19-14+/t27-/m0/s1InChIKey
LVMWJHAQJIIZPX-ZICGYBOYSA-NSynonyms
(RE)ETHYL4(2((1(6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)ACETYL)PIPERAZINE1CARBOXYLATE
110205943
CCOC(=O)N1CCN(CC1)C(=O)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ethyl4(2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)acetyl)piperazine1carboxylate
ethyl4(N((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)glycyl)piperazine1carboxylate
InChI=1SC27H31N3O9c163826(37)309729(81030)18(33)122814(3)1916(32)111727(525(19)36)2123(35)13(2)22(34)20(15(4)31)24(21)3917h11283435H61012H215H3b1914+t27m0s1
ZINC000253409439
ZINC253409439
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.