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 dodecanoate (non-preferred name)
Catalog ID
STL553656
SMILES CCCCCCCCCCCC(=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 C39H68O2 MW 568.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H68O2/c1-5-7-9-11-13-14-15-17-19-21-37(40)41-33-26-28-39(4)32(30-33)22-24-34-35-25-23-31(20-18-16-12-10-8-6-2)38(35,3)29-27-36(34)39/h22,31,33-36H,5-21,23-30H2,1-4H3InChIKey
MXGAOIRJBACCEY-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)dodecanoate
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yldodecanoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yldodecanoate(nonpreferredname)
3455347
CCCCCCCCCCCC(=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=1SC39H68O2c15791113141517192137(40)4133262839(4)32(3033)22243435252331(2018161210862)38(353)292736(34)39h22313336H5212330H214H3
MFCD01366435
ZINC000504479041
ZINC000504479044
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