Vitas-M small molecule compound
(14xi)-3-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}estra-1,3,5(10)-triene-16,17-diol
Catalog ID
STL534410
SMILES COc1c2c(CCN(C2C#CCOc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C2CC(C3O)O)C)C)cc2c1OCO2
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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 C33H39NO6 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO6/c1-33-12-10-23-22-9-7-21(15-19(22)6-8-24(23)25(33)17-27(35)32(33)36)38-14-4-5-26-29-20(11-13-34(26)2)16-28-30(31(29)37-3)40-18-39-28/h7,9,15-16,23-27,32,35-36H,6,8,10-14,17-18H2,1-3H3/t23-,24-,25?,26?,27?,32?,33+/m1/s1InChIKey
JIJBIRWDXBJAGK-JADFSABHSA-NSynonyms
(14xi)3((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)estra135(10)triene1617diol
(8~(R)9~(S)13~(S))3(3(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)prop2ynoxy)13methyl6789111214151617decahydrocyclopenta(a)phenanthrene1617diol
(8R9S13S)3((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)13methyl78911121314151617decahydro6Hcyclopenta(a)phenanthrene1617diol
16407454
COc1c2c(CCN(C2C#CCOc2ccc3c(c2)CC(C@@H)2(C@@H)3CC(C@)3(C2CC(C3O)O)C)C)cc2c1OCO2
InChI=1SC33H39NO6c133121023229721(1519(22)6824(23)25(33)1727(35)32(33)36)381445262920(111334(26)2)162830(31(29)373)40183928h7915162327323536H6810141718H213H3t232425?26?27?32?33+m1s1
MFCD08284225
ZINC000252694342
ZINC000252694345
Check stock
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