Vitas-M small molecule compound
S-[(3S,10S,13R)-10,13-dimethyl-17-octylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanethioate (non-preferred name)
Catalog ID
STL548541
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CC[C@@H](C2)SC(=O)CC
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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 C30H52OS MW 460.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H52OS/c1-5-7-8-9-10-11-12-22-14-16-26-25-15-13-23-21-24(32-28(31)6-2)17-19-30(23,4)27(25)18-20-29(22,26)3/h22-27H,5-21H2,1-4H3/t22?,23?,24-,25?,26?,27?,29+,30-/m0/s1InChIKey
ZTCKLNAEULJWDY-LVNFLYPFSA-NSynonyms
~(S)((3~(S)10~(S)13~(R))1013dimethyl17octyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren3yl)propanethioate
16395631
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CCC2(C@)1(C)CC(C@@H)(C2)SC(=O)CC
InChI=1SC30H52OSc1578910111222141626251513232124(3228(31)62)171930(234)27(25)182029(2226)3h2227H521H214H3t22?23?2425?26?27?29+30m0s1
MFCD01083654
S((3S10S13R)1013dimethyl17octylhexadecahydro1Hcyclopenta(a)phenanthren3yl)propanethioate
S((3S10S13R)1013dimethyl17octylhexadecahydro1Hcyclopenta(a)phenanthren3yl)propanethioate(nonpreferredname)
ZINC000253500224
ZINC000253500227
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