Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-3-hydroxy-21-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pregn-5-en-20-one
Catalog ID
STL526077
SMILES COc1c2c(CCN(C2CC(=O)C2CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)O)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 C33H45NO5 MW 535.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45NO5/c1-32-12-9-21(35)16-20(32)5-6-22-23-7-8-25(33(23,2)13-10-24(22)32)27(36)17-26-29-19(11-14-34(26)3)15-28-30(31(29)37-4)39-18-38-28/h5,15,21-26,35H,6-14,16-18H2,1-4H3/t21?,22?,23?,24?,25?,26?,32-,33-/m0/s1InChIKey
HFVXXBWONQVENR-CHUYNUJPSA-NSynonyms
(8xi9xi14xi17xi)3hydroxy21(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)pregn5en20one
1((10~(R)13~(S))3hydroxy1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)2(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)ethanone
1((10R13S)3hydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)ethanone
16396900
COc1c2c(CCN(C2CC(=O)C2CCC3(C@)2(C)CCC2C3CC=C3(C@)2(C)CCC(C3)O)C)cc2c1OCO2
InChI=1SC33H45NO5c13212921(35)1620(32)5622237825(33(232)131024(22)32)27(36)17262919(111434(26)3)152830(31(29)374)39183828h515212635H6141618H214H3t21?22?23?24?25?26?3233m0s1
MFCD02115446
ZINC000012659666
ZINC000253499447
Check stock
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