Vitas-M small molecule compound
(8xi,9xi,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)-trien-17-one
Catalog ID
STL527502
SMILES COc1c2c(CCN(C2C#CCOc2ccc3c(c2)CCC2C3CC[C@]3(C2CCC3=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 C33H37NO5 MW 527.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37NO5/c1-33-14-12-24-23-9-7-22(17-20(23)6-8-25(24)26(33)10-11-29(33)35)37-16-4-5-27-30-21(13-15-34(27)2)18-28-31(32(30)36-3)39-19-38-28/h7,9,17-18,24-27H,6,8,10-16,19H2,1-3H3/t24?,25?,26?,27?,33-/m0/s1InChIKey
ZRQMXWHSXXGXDP-LPCBWOFQSA-NSynonyms
(13~(S))3(3(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)prop2ynoxy)13methyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren17one
(13S)3((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)13methyl7891112131516octahydro6Hcyclopenta(a)phenanthren17(14H)one
(8xi9xi14xi)3((3(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)prop2yn1yl)oxy)estra135(10)trien17one
16398111
COc1c2c(CCN(C2C#CCOc2ccc3c(c2)CCC2C3CC(C@)3(C2CCC3=O)C)C)cc2c1OCO2
InChI=1SC33H37NO5c133141224239722(1720(23)6825(24)26(33)101129(33)35)371645273021(131534(27)2)182831(32(30)363)39193828h7917182427H68101619H213H3t24?25?26?27?33m0s1
MFCD03660422
ZINC000020114000
ZINC000252695418
Check stock
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