Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-{[2-(4-hydroxyphenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL528030
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)O
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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 C33H41NO8 MW 579.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO8/c1-31-14-11-23(36)17-21(31)5-8-24-25-12-15-33(41,32(25,2)18-26(37)30(24)31)27(38)19-42-29(40)10-9-28(39)34-16-13-20-3-6-22(35)7-4-20/h3-4,6-7,17,24-25,30,35,41H,5,8-16,18-19H2,1-2H3,(H,34,39)/t24?,25?,30?,31-,32-,33-/m0/s1InChIKey
ZDHJSPHOEHZOSU-KBWLIEKWSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)4(2(4hydroxyphenyl)ethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy31120trioxopregn4en21yl4((2(4hydroxyphenyl)ethyl)amino)4oxobutanoate
2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((4hydroxyphenethyl)amino)4oxobutanoate
44664858
InChI=1SC33H41NO8c131141123(36)1721(31)582425121533(4132(252)1826(37)30(24)31)27(38)194229(40)10928(39)341613203622(35)7420h3467172425303541H58161819H212H3(H3439)t24?25?30?313233m0s1
MFCD03850021
O=C(CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCc1ccc(cc1)O
ZINC000253502052
ZINC000253502059
Check stock
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Check stock on Vitas-MAvailable files
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