Vitas-M small molecule compound
(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 3,3,3-trifluoropropanoate (non-preferred name)
Catalog ID
STL546047
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CC(F)(F)F
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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 C30H47F3O2 MW 496.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H47F3O2/c1-4-5-6-7-8-9-10-21-12-14-25-24-13-11-22-19-23(35-27(34)20-30(31,32)33)15-17-29(22,3)26(24)16-18-28(21,25)2/h11,21,23-26H,4-10,12-20H2,1-3H3/t21?,23-,24?,25?,26?,28+,29-/m0/s1InChIKey
QOSWRJIBJZXASV-CJQUNPBVSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)333trifluoropropanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl333trifluoropropanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl333trifluoropropanoate(nonpreferredname)
16395138
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)CC(F)(F)F
InChI=1SC30H47F3O2c14567891021121425241311221923(3527(34)2030(3132)33)151729(223)26(24)161828(2125)2h11212326H4101220H213H3t21?2324?25?26?28+29m0s1
MFCD01082395
ZINC000070664645
ZINC000253499885
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