Vitas-M small molecule compound
decyl 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
STL547785
SMILES CCCCCCCCCCOC(=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 C30H39NO8 MW 541.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39NO8/c1-6-7-8-9-10-11-12-13-14-38-22(34)16-31-18(3)23-20(33)15-21-30(5,29(23)37)25-27(36)17(2)26(35)24(19(4)32)28(25)39-21/h15,31,35-36H,6-14,16H2,1-5H3/b23-18+/t30-/m0/s1InChIKey
OBGUWRCFFASNSW-RLWVJCIQSA-NSynonyms
(RE)DECYL2((1(6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)ACETATE
110207609
CCCCCCCCCCOC(=O)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
decyl2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)acetate
decylN((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)glycinate
InChI=1SC30H39NO8c1678910111213143822(34)163118(3)2320(33)152130(529(23)37)2527(36)17(2)26(35)24(19(4)32)28(25)3921h15313536H61416H215H3b2318+t30m0s1
ZINC000253410998
ZINC253410998
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