Vitas-M small molecule compound
S-[(3S,10R,13R)-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] 3-methylpentanethioate (non-preferred name)
Catalog ID
STL525286
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)CC(CC)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 C33H56OS MW 500.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H56OS/c1-6-8-9-10-11-12-13-25-15-17-29-28-16-14-26-23-27(35-31(34)22-24(3)7-2)18-20-33(26,5)30(28)19-21-32(25,29)4/h14,24-25,27-30H,6-13,15-23H2,1-5H3/t24?,25?,27-,28?,29?,30?,32+,33-/m0/s1InChIKey
LQEPAKNLJUMKSY-HXYJERBWSA-NSynonyms
~(S)((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3methylpentanethioate
16395695
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)SC(=O)CC(CC)C
InChI=1SC33H56OSc16891011121325151729281614262327(3531(34)2224(3)72)182033(265)30(28)192132(2529)4h1424252730H6131523H215H3t24?25?2728?29?30?32+33m0s1
MFCD01083361
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)3methylpentanethioate
S((3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)3methylpentanethioate(nonpreferredname)
ZINC000253499629
ZINC000253499632
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