Vitas-M small molecule compound
(8xi,11alpha,17beta)-17-ethynyl-11-[(methylsulfanyl)methoxy]estra-1,3,5(10)-triene-3,17-diyl diacetate
Catalog ID
STK786317
SMILES CSCO[C@@H]1C[C@@]2(C)[C@H](C3[C@H]1c1ccc(cc1CC3)OC(=O)C)CC[C@]2(C#C)OC(=O)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 C26H32O5S MW 456.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32O5S/c1-6-26(31-17(3)28)12-11-22-21-9-7-18-13-19(30-16(2)27)8-10-20(18)24(21)23(29-15-32-5)14-25(22,26)4/h1,8,10,13,21-24H,7,9,11-12,14-15H2,2-5H3/t21?,22-,23+,24+,25-,26-/m0/s1InChIKey
HJAGJZNFVJYWMX-KGSYQNBOSA-NSynonyms
((9S11R13S14S17R)17acetyloxy17ethynyl13methyl11(methylsulfanylmethoxy)7891112141516octahydro6Hcyclopenta(a)phenanthren3yl)acetate
(8xi11alpha17beta)17ethynyl11((methylsulfanyl)methoxy)estra135(10)triene317diyldiacetate
CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CCC(C4(CC3OCSC)C)(C#C)OC(=O)C
CSCO(C@@H)1C(C@@)2(C)(C@H)(C3(C@H)1c1ccc(cc1CC3)OC(=O)C)CC(C@)2(C#C)OC(=O)C
InChI=1SC26H32O5Sc1626(3117(3)28)1211222197181319(3016(2)27)81020(18)24(21)23(2915325)1425(2226)4h1810132124H7911121415H225H3t21?2223+24+2526m0s1
MFCD08532169
ZINC000012364643
ZINC000012364645
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