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 tridecanoate (non-preferred name)
Catalog ID
STL553657
SMILES CCCCCCCCCCCCC(=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 C40H70O2 MW 582.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H70O2/c1-5-7-9-11-13-14-15-16-18-20-22-38(41)42-34-27-29-40(4)33(31-34)23-25-35-36-26-24-32(21-19-17-12-10-8-6-2)39(36,3)30-28-37(35)40/h23,32,34-37H,5-22,24-31H2,1-4H3InChIKey
IICXHZZUMLIVPU-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)tridecanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yltridecanoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yltridecanoate(nonpreferredname)
3413887
CCCCCCCCCCCCC(=O)O(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2CCCCCCCC)C)C1)C
InChI=1SC40H70O2c1579111314151618202238(41)4234272940(4)33(3134)23253536262432(2119171210862)39(363)302837(35)40h23323437H5222431H214H3
MFCD01366436
ZINC000504326984
ZINC000504326987
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