Vitas-M small molecule compound

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-methylbutyl carbonate (non-preferred name)

Catalog ID
STL553665
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)OCC(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 C33H56O3 MW 500.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H56O3/c1-6-8-9-10-11-12-13-25-15-17-29-28-16-14-26-22-27(36-31(34)35-23-24(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
InChIKey
KWQNFBDQIWUYNL-UHFFFAOYSA-N
Synonyms

(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2methylbutylcarbonate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl(2methylbutyl)carbonate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl2methylbutylcarbonate(nonpreferredname)
3753757
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)OCC(CC)C
InChI=1SC33H56O3c16891011121325151729281614262227(3631(34)352324(3)72)182033(265)30(28)192132(2529)4h1424252730H6131523H215H3
MFCD01366444
ZINC000070665372
ZINC000504752485

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.