Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoate
Catalog ID
STL537045
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCCn1ccnc1
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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 C31H43N3O6 MW 553.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43N3O6/c1-29-11-8-22(35)18-21(29)4-5-23-24(29)9-12-30(2)25(23)10-13-31(30,39)26(36)19-40-28(38)7-6-27(37)33-14-3-16-34-17-15-32-20-34/h15,17-18,20,23-25,39H,3-14,16,19H2,1-2H3,(H,33,37)/t23?,24?,25?,29-,30-,31-/m0/s1InChIKey
YSGDYEWVBINIQR-VJJRXYOSSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(3imidazol1ylpropylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl4((3(1Himidazol1yl)propyl)amino)4oxobutanoate
16405834
2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((3(1Himidazol1yl)propyl)amino)4oxobutanoate
InChI=1SC31H43N3O6c12911822(35)1821(29)452324(29)91230(2)25(23)101331(3039)26(36)194028(38)7627(37)3314316341715322034h15171820232539H3141619H212H3(H3337)t23?24?25?293031m0s1
MFCD07199227
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCCn1ccnc1
ZINC000070705899
ZINC000253499219
Check stock
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