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 hexadecyl carbonate (non-preferred name)
Catalog ID
STL553623
SMILES CCCCCCCCCCCCCCCCOC(=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 C44H78O3 MW 655.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H78O3/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-34-46-42(45)47-38-30-32-44(4)37(35-38)26-28-39-40-29-27-36(25-23-21-12-10-8-6-2)43(40,3)33-31-41(39)44/h26,36,38-41H,5-25,27-35H2,1-4H3InChIKey
VYQZKFDYFAVOLO-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)hexadecylcarbonate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylhexadecylcarbonate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylhexadecylcarbonate(nonpreferredname)
5195069
CCCCCCCCCCCCCCCCOC(=O)O(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2CCCCCCCC)C)C1)C
InChI=1SC44H78O3c15791113141516171819202224344642(45)4738303244(4)37(3538)26283940292736(2523211210862)43(403)333141(39)44h26363841H5252735H214H3
MFCD01364300
ZINC000504213872
ZINC000504213880
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