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 3-methylpentanoate (non-preferred name)
Catalog ID
STL553663
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CC(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 C33H56O2 MW 484.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H56O2/c1-6-8-9-10-11-12-13-25-15-17-29-28-16-14-26-23-27(35-31(34)22-24(3)7-2)18-20-33(26,5)30(28)19-21-32(25,29)4/h14,24-25,27-30H,6-13,15-23H2,1-5H3InChIKey
PMYUHCNZFCGFFL-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3methylpentanoate
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3methylpentanoate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3methylpentanoate(nonpreferredname)
3724430
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
InChI=1SC33H56O2c16891011121325151729281614262327(3531(34)2224(3)72)182033(265)30(28)192132(2529)4h1424252730H6131523H215H3
MFCD00984749
ZINC000504683334
ZINC000504683337
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