Vitas-M small molecule compound
(3S)-3,6,9-trimethyl-3-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2,3-dimethylbut-2-enoate
Catalog ID
STK027705
SMILES C/C=C(/C(=O)O[C@]1(C)C(=O)OC2C1C(OC(=O)C(=C(C)C)C)CC(=C1C2C(=CC1)C)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 C26H34O6 MW 442.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34O6/c1-9-14(4)23(27)32-26(8)21-19(30-24(28)17(7)13(2)3)12-16(6)18-11-10-15(5)20(18)22(21)31-25(26)29/h9-10,19-22H,11-12H2,1-8H3/b14-9+/t19?,20?,21?,22?,26-/m0/s1InChIKey
AVECJVSAHPKONZ-ZUVFXSPASA-NSynonyms
((3S)369trimethyl3((E)2methylbut2enoyl)oxy2oxo3a4579a9bhexahydroazuleno(45b)furan4yl)23dimethylbut2enoate
(3S)369trimethyl3(((2E)2methylbut2enoyl)oxy)2oxo233a4579a9boctahydroazuleno(45b)furan4yl23dimethylbut2enoate
CC=C(C(=O)O(C@)1(C)C(=O)OC2C1C(OC(=O)C(=C(C)C)C)CC(=C1C2C(=CC1)C)C)C
CC=C(C)C(=O)OC1(C2C(CC(=C3CC=C(C3C2OC1=O)C)C)OC(=O)C(=C(C)C)C)C
InChI=1SC26H34O6c1914(4)23(27)3226(8)2119(3024(28)17(7)13(2)3)1216(6)18111015(5)20(18)22(21)3125(26)29h9101922H1112H218H3b149+t19?20?21?22?26m0s1
MFCD13368311
STK027705
ZINC000226760911
ZINC000252428376
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