Vitas-M small molecule compound
(8xi,9xi,14xi)-16-hydroxy-16-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethynyl]androst-4-en-3-one
Catalog ID
STL553027
SMILES COc1c2OCOc2cc2c1C(C#CC1(O)CC3[C@](C1)(C)CCC1C3CCC3=CC(=O)CC[C@]13C)[NH+](CC2)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 C33H42NO5 MW 532.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO5/c1-31-11-8-24-23(6-5-21-16-22(35)7-12-32(21,24)2)25(31)17-33(36,18-31)13-9-26-28-20(10-14-34(26)3)15-27-29(30(28)37-4)39-19-38-27/h15-16,23-26,36H,5-8,10-12,14,17-19H2,1-4H3/p+1/t23?,24?,25?,26?,31-,32+,33?/m1/s1InChIKey
MCUPXNVFHLLYNR-DLBPFEIISA-OSynonyms
(10~(R)13~(R))16hydroxy16(2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)ethynyl)1013dimethyl267891112141517decahydro1~(H)cyclopenta(a)phenanthren3one
(8xi9xi14xi)16hydroxy16((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)ethynyl)androst4en3one
16397701
5(((10R13R)16hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren16yl)ethynyl)4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumchloride
COc1c2OCOc2cc2c1C(C#CC1(O)CC3(C@)(C1)(C)CCC1C3CCC3=CC(=O)CC(C@)13C)(NH+)(CC2)C(Cl)
InChI=1SC33H41NO5c1311182423(65211622(35)71232(2124)2)25(31)1733(361831)139262820(101434(26)3)152729(30(28)374)39193827h1516232636H581012141719H214H3p+1t23?24?25?26?3132+33?m1s1
ZINC000252441250
ZINC000253531163
Check stock
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