Vitas-M small molecule compound

5,6-dibromo-10,13-dimethyl-17-octylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-methylpentanoate (non-preferred name)

Catalog ID
STL553669
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)OC(=O)CC(CC)C)Br)Br

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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 C33H56Br2O2 MW 644.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H56Br2O2/c1-6-8-9-10-11-12-13-24-14-15-27-26-21-29(34)33(35)22-25(37-30(36)20-23(3)7-2)16-19-32(33,5)28(26)17-18-31(24,27)4/h23-29H,6-22H2,1-5H3
InChIKey
VKBCMZKYIQGGGT-UHFFFAOYSA-N
Synonyms

(3S8S9S10R13R14S17S)56dibromo1013dimethyl17octylhexadecahydro1Hcyclopenta(a)phenanthren3yl3methylpentanoate
(56dibromo1013dimethyl17octyl12346789111214151617tetradecahydrocyclopenta(a)phenanthren3yl)3methylpentanoate
3369486
56dibromo1013dimethyl17octylhexadecahydro1Hcyclopenta(a)phenanthren3yl3methylpentanoate(nonpreferredname)
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)CC(CC)C)Br)Br
InChI=1SC33H56Br2O2c16891011121324141527262129(34)33(35)2225(3730(36)2023(3)72)161932(335)28(26)171831(2427)4h2329H622H215H3
MFCD01366463
ZINC000504649560
ZINC000504649563

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Available files

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