Vitas-M small molecule compound
methyl 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}glycinate
Catalog ID
STL548833
SMILES COC(=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 C21H21NO8 MW 415.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO8/c1-8-17(26)15(10(3)23)19-16(18(8)27)21(4)12(30-19)6-11(24)14(20(21)28)9(2)22-7-13(25)29-5/h6,22,26-27H,7H2,1-5H3/b14-9+/t21-/m0/s1InChIKey
HOOJKJQZLZOKPI-PBAKHKOTSA-NSynonyms
(RE)METHYL2((1(6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)ACETATE
110207662
COC(=O)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC21H21NO8c1817(26)15(10(3)23)1916(18(8)27)21(4)12(3019)611(24)14(20(21)28)9(2)22713(25)295h6222627H7H215H3b149+t21m0s1
methyl2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)acetate
methylN((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)glycinate
ZINC000253403934
ZINC253403934
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