Vitas-M small molecule compound
ethyl 4-({(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)piperidine-1-carboxylate
Catalog ID
STL548322
SMILES CCOC(=O)N1CCC(CC1)N/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 C26H30N2O8 MW 498.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O8/c1-6-35-25(34)28-9-7-15(8-10-28)27-13(3)18-16(30)11-17-26(5,24(18)33)20-22(32)12(2)21(31)19(14(4)29)23(20)36-17/h11,15,27,31-32H,6-10H2,1-5H3/b18-13+/t26-/m0/s1InChIKey
QRMOUERKGFSTCU-FPNTXNJKSA-NSynonyms
(RE)ETHYL4((1(6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)PIPERIDINE1CARBOXYLATE
121541895
CCOC(=O)N1CCC(CC1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ethyl4(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)piperidine1carboxylate
ethyl4(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)piperidine1carboxylate
InChI=1SC26H30N2O8c163525(34)289715(81028)2713(3)1816(30)111726(524(18)33)2022(32)12(2)21(31)19(14(4)29)23(20)3617h1115273132H610H215H3b1813+t26m0s1
ZINC000263586154
ZINC263586154
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