Vitas-M small molecule compound
17-{3-methyl-3-[(2-methylbutan-2-yl)peroxy]but-1-yn-1-yl}estra-1,3,5(10)-triene-3,17-diyl bis(2-methylprop-2-enoate)
Catalog ID
STL562945
SMILES CCC(OOC(C#CC1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OC(=O)C(=C)C)OC(=O)C(=C)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 C36H48O6 MW 576.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H48O6/c1-11-33(6,7)41-42-34(8,9)20-21-36(40-32(38)24(4)5)19-17-30-29-14-12-25-22-26(39-31(37)23(2)3)13-15-27(25)28(29)16-18-35(30,36)10/h13,15,22,28-30H,2,4,11-12,14,16-19H2,1,3,5-10H3/t28-,29-,30+,35+,36?/m1/s1InChIKey
XSWFWWRZCMSVDA-HXDQERSPSA-NSynonyms
405901-40-8((8R9S13S14S)13methyl17(3methyl3(2methylbutan2ylperoxy)but1ynyl)17(2methylprop2enoyloxy)7891112141516octahydro6Hcyclopenta(a)phenanthren3yl)2methylprop2enoate
(8R9S13S14S)13methyl17(3methyl3(tertpentylperoxy)but1yn1yl)78911121314151617decahydro6Hcyclopenta(a)phenanthrene317diylbis(2methylacrylate)
16399290
17(3methyl3((2methylbutan2yl)peroxy)but1yn1yl)estra135(10)triene317diylbis(2methylprop2enoate)
317DIMETHACRYLOYLOXY17(3METHYL3TPENTYLPEROXYBUT1YNYL)ESTRA135(10)TRIENE
405901408
CCC(OOC(C#CC1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCc2c1ccc(c2)OC(=O)C(=C)C)OC(=O)C(=C)C)(C)C)(C)C
InChI=1SC36H48O6c11133(67)414234(89)202136(4032(38)24(4)5)191730291412252226(3931(37)23(2)3)131527(25)28(29)161835(3036)10h1315222830H241112141619H213510H3t282930+35+36?m1s1
ZINC000002153702
ZINC000002153704
Check stock
See real-time availability and sample size for STL562945 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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