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 2-bromo-2-methylpropanoate (non-preferred name)
Catalog ID
STL524734
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(Br)(C)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 C31H51BrO2 MW 535.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H51BrO2/c1-6-7-8-9-10-11-12-22-14-16-26-25-15-13-23-21-24(34-28(33)29(2,3)32)17-19-31(23,5)27(25)18-20-30(22,26)4/h13,22,24-27H,6-12,14-21H2,1-5H3/t22?,24-,25?,26?,27?,30+,31-/m0/s1InChIKey
LUWMKIRDWVRJIY-LHLNSCLDSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2bromo2methylpropanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2bromo2methylpropanoate(nonpreferredname)
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2bromo2methylpropanoate
122170095
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C(Br)(C)C
InChI=1SC31H51BrO2c1678910111222141626251513232124(3428(33)29(23)32)171931(235)27(25)182030(2226)4h13222427H6121421H215H3t22?2425?26?27?30+31m0s1
MFCD01083475
ZINC000409413870
ZINC000409413879
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