Vitas-M small molecule compound
(1S,3E)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate
Catalog ID
STL564324
SMILES CC1=CCCC(C)(O)C=CC([C@H](C1)OC(=O)c1ccc(cc1)O)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 C22H30O4 MW 358.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30O4/c1-15(2)19-11-13-22(4,25)12-5-6-16(3)14-20(19)26-21(24)17-7-9-18(23)10-8-17/h6-11,13,15,19-20,23,25H,5,12,14H2,1-4H3/b13-11+,16-6+/t19?,20-,22?/m0/s1InChIKey
AVRRAMZPNSQDIW-YOCNZXCRSA-NSynonyms
(1S2S3E5R8E)5hydroxy2isopropyl59dimethylcyclodeca38dien1yl4hydroxybenzoate
(1S3E)5hydroxy59dimethyl2(propan2yl)cyclodeca38dien1yl4hydroxybenzoate
CC1=CCC(C@@)(C)(O)C=C(C@@H)((C@H)(C1)OC(=O)c1ccc(cc1)O)C(C)C
MFCD32651436
ZINC000254091654
ZINC001848443554
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