Vitas-M small molecule compound
3,6,9-trimethyl-3-[(3-methylbut-2-enoyl)oxy]-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 3,4-dimethoxybenzoate
Catalog ID
STL566226
SMILES COc1cc(ccc1OC)C(=O)OC1CC(=C2C(C3C1C(C)(OC(=O)C=C(C)C)C(=O)O3)C(=CC2=O)C)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 C29H32O9 MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32O9/c1-14(2)10-22(31)38-29(5)25-21(36-27(32)17-8-9-19(34-6)20(13-17)35-7)12-16(4)23-18(30)11-15(3)24(23)26(25)37-28(29)33/h8-11,13,21,24-26H,12H2,1-7H3InChIKey
REYNGRMDLJMCID-UHFFFAOYSA-NSynonyms
(369trimethyl3(3methylbut2enoyloxy)27dioxo459a9btetrahydro3aHazuleno(45b)furan4yl)34dimethoxybenzoate
(3S3aR4S9aS)369trimethyl3((3methylbut2enoyl)oxy)27dioxo233a4579a9boctahydroazuleno(45b)furan4yl34dimethoxybenzoate
369trimethyl3((3methylbut2enoyl)oxy)27dioxo233a4579a9boctahydroazuleno(45b)furan4yl34dimethoxybenzoate
3838105
COc1cc(ccc1OC)C(=O)O(C@H)1CC(=C2(C@@H)(C3(C@@H)1(C@)(C)(OC(=O)C=C(C)C)C(=O)O3)C(=CC2=O)C)C
InChI=1SC29H32O9c114(2)1022(31)3829(5)2521(3627(32)178919(346)20(1317)357)1216(4)2318(30)1115(3)24(23)26(25)3728(29)33h81113212426H12H217H3
MFCD01547094
ZINC000015110040
ZINC000257530073
Check stock
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