Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(4-fluorophenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL529217
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)F
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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 C33H42FNO7 MW 583.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42FNO7/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)35-16-13-20-3-6-22(34)7-4-20/h3-4,6-7,17,24-26,30,37,41H,5,8-16,18-19H2,1-2H3,(H,35,39)/t24?,25?,26?,30?,31-,32-,33-/m0/s1InChIKey
DSGJHGLCXMRKCC-WPYIPTSUSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(4fluorophenyl)ethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4((2(4fluorophenyl)ethyl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((4fluorophenethyl)amino)4oxobutanoate
44661848
InChI=1SC33H42FNO7c131141123(36)1721(31)582425121533(4132(252)1826(37)30(24)31)27(38)194229(40)10928(39)351613203622(34)7420h3467172426303741H58161819H212H3(H3539)t24?25?26?30?313233m0s1
MFCD05729826
O=C(CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCc1ccc(cc1)F
ZINC000254568705
ZINC000254568708
Check stock
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Check stock on Vitas-MAvailable files
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