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 tetradecanoate (non-preferred name)
Catalog ID
STL553658
SMILES CCCCCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)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 C41H72O2 MW 597.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H72O2/c1-5-7-9-11-13-14-15-16-17-19-21-23-39(42)43-35-28-30-41(4)34(32-35)24-26-36-37-27-25-33(22-20-18-12-10-8-6-2)40(37,3)31-29-38(36)41/h24,33,35-38H,5-23,25-32H2,1-4H3InChIKey
GKLODRKAVQZDTM-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)tetradecanoate
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yltetradecanoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yltetradecanoate(nonpreferredname)
4221318
CCCCCCCCCCCCCC(=O)O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3CC(C@@H)2CCCCCCCC)C)C1)C
InChI=1SC41H72O2c157911131415161719212339(42)4335283041(4)34(3235)24263637272533(2220181210862)40(373)312938(36)41h24333538H5232532H214H3
MFCD01366437
ZINC000253487187
ZINC000504339233
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