Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(4-methoxyphenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL541413
SMILES COc1ccc(cc1)CCNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C34H45NO8 MW 595.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45NO8/c1-32-15-12-23(36)18-22(32)6-9-25-26-13-16-34(41,33(26,2)19-27(37)31(25)32)28(38)20-43-30(40)11-10-29(39)35-17-14-21-4-7-24(42-3)8-5-21/h4-5,7-8,18,25-27,31,37,41H,6,9-17,19-20H2,1-3H3,(H,35,39)/t25?,26?,27?,31?,32-,33-,34-/m0/s1InChIKey
UNLZDYGLXLATKJ-CFCLLMBQSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(4methoxyphenyl)ethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4((2(4methoxyphenyl)ethyl)amino)4oxobutanoate
16405980
2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((4methoxyphenethyl)amino)4oxobutanoate
COc1ccc(cc1)CCNC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC34H45NO8c132151223(36)1822(32)692526131634(4133(262)1927(37)31(25)32)28(38)204330(40)111029(39)351714214724(423)8521h4578182527313741H69171920H213H3(H3539)t25?26?27?31?323334m0s1
MFCD05731996
ZINC000070706431
ZINC000253499151
Check stock
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Check stock on Vitas-MAvailable files
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