Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-21-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-20-oxopregn-5-en-3-yl acetate
Catalog ID
STL537025
SMILES COc1c2c(CCN(C2CC(=O)C2CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)OC(=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 C35H47NO6 MW 577.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H47NO6/c1-20(37)42-23-10-13-34(2)22(17-23)6-7-24-25-8-9-27(35(25,3)14-11-26(24)34)29(38)18-28-31-21(12-15-36(28)4)16-30-32(33(31)39-5)41-19-40-30/h6,16,23-28H,7-15,17-19H2,1-5H3/t23?,24?,25?,26?,27?,28?,34-,35-/m0/s1InChIKey
GYQGIZSWANUMBG-PBOXPPQTSA-NSynonyms
((10~(R)13~(S))17(2(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)acetyl)1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(10R13S)17(2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)acetyl)1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi14xi17xi)21(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)20oxopregn5en3ylacetate
16399193
COc1c2c(CCN(C2CC(=O)C2CCC3(C@)2(C)CCC2C3CC=C3(C@)2(C)CCC(C3)OC(=O)C)C)cc2c1OCO2
InChI=1SC35H47NO6c120(37)4223101334(2)22(1723)6724258927(35(253)141126(24)34)29(38)18283121(121536(28)4)163032(33(31)395)41194030h6162328H7151719H215H3t23?24?25?26?27?28?3435m0s1
MFCD02115511
ZINC000253501755
ZINC000253501763
Check stock
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Check stock on Vitas-MAvailable files
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