Vitas-M small molecule compound
(5S,10S,13S)-10,13-dimethyl-17-{3-methyl-3-[(2-methylpentan-2-yl)peroxy]but-1-yn-1-yl}hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate (non-preferred name)
Catalog ID
STL525113
SMILES CCCC(OOC(C#CC1(CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)C)OC(=O)C)(C)C)(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 C34H54O6 MW 558.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H54O6/c1-10-16-30(4,5)39-40-31(6,7)20-21-34(38-24(3)36)19-15-29-27-12-11-25-22-26(37-23(2)35)13-17-32(25,8)28(27)14-18-33(29,34)9/h25-29H,10-19,22H2,1-9H3/t25-,26?,27?,28?,29?,32-,33-,34?/m0/s1InChIKey
MQGVLLQFFLTSOQ-SDITWBDRSA-NSynonyms
((5~(S)10~(S)13~(S))17acetyloxy1013dimethyl17(3methyl3(2methylpentan2ylperoxy)but1ynyl)1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(3S5S8R9S10S13S14S17R)1013dimethyl17(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)hexadecahydro1Hcyclopenta(a)phenanthrene317diyldiacetate
(5S10S13S)1013dimethyl17(3methyl3((2methylpentan2yl)peroxy)but1yn1yl)hexadecahydro1Hcyclopenta(a)phenanthrene317diyldiacetate(nonpreferredname)
44664812
CCCC(OOC(C#C(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@@H)(C2)OC(=O)C)OC(=O)C)(C)C)(C)C
InChI=1SC34H54O6c1101630(45)394031(67)202134(3824(3)36)191529271211252226(3723(2)35)131732(258)28(27)141833(2934)9h2529H101922H219H3t2526?27?28?29?323334?m0s1
MFCD01881745
ZINC000253502602
ZINC000253502610
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.