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) 2-chloropentanethioate (non-preferred name)
Catalog ID
STL553698
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)SC(=O)C(CCC)Cl
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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 C32H53ClOS MW 521.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H53ClOS/c1-5-7-8-9-10-11-13-23-15-17-27-26-16-14-24-22-25(35-30(34)29(33)12-6-2)18-20-32(24,4)28(26)19-21-31(23,27)3/h14,23,25-29H,5-13,15-22H2,1-4H3InChIKey
ILSFDWKMTIXYBP-UHFFFAOYSA-NSynonyms
~(S)(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2chloropentanethioate
3802620
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)C(CCC)Cl
InChI=1SC32H53ClOSc1578910111323151727261614242225(3530(34)29(33)1262)182032(244)28(26)192131(2327)3h14232529H5131522H214H3
MFCD01366459
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2chloropentanethioate
S(1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2chloropentanethioate(nonpreferredname)
ZINC000070665133
ZINC000504113545
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