Vitas-M small molecule compound
S-(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) nonanethioate (non-preferred name)
Catalog ID
STL553619
SMILES CCCCCCCCC(=O)SC1CCC2(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 C36H62OS MW 542.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H62OS/c1-5-7-9-11-13-15-17-28-20-22-32-31-21-19-29-27-30(38-34(37)18-16-14-12-10-8-6-2)23-25-36(29,4)33(31)24-26-35(28,32)3/h19,28,30-33H,5-18,20-27H2,1-4H3InChIKey
BKCYYMDZDGYUTL-UHFFFAOYSA-NSynonyms
~(S)(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)nonanethioate
3828047
CCCCCCCCC(=O)S(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2CCCCCCCC)C)C1)C
InChI=1SC36H62OSc15791113151728202232312119292730(3834(37)1816141210862)232536(294)33(31)242635(2832)3h19283033H5182027H214H3
MFCD00984760
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)nonanethioate
S(1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)nonanethioate(nonpreferredname)
ZINC000070665092
ZINC000504674716
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