Vitas-M small molecule compound
10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-cyclohexylpropanoate (non-preferred name)
Catalog ID
STL553640
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC1CCCCC1
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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 C36H60O2 MW 524.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H60O2/c1-4-5-6-7-8-12-15-28-18-20-32-31-19-17-29-26-30(38-34(37)21-16-27-13-10-9-11-14-27)22-24-36(29,3)33(31)23-25-35(28,32)2/h17,27-28,30-33H,4-16,18-26H2,1-3H3InChIKey
WXDLBYTWLXNNTA-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3cyclohexylpropanoate
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3cyclohexylpropanoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3cyclohexylpropanoate(nonpreferredname)
3833408
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)CCC1CCCCC1
InChI=1SC36H60O2c145678121528182032311917292630(3834(37)21162713109111427)222436(293)33(31)232535(2832)2h1727283033H4161826H213H3
MFCD01364301
ZINC000409414540
ZINC000504697769
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