Vitas-M small molecule compound
N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)glycine
Catalog ID
STL562901
SMILES O=C(NCC(=O)O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=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 C25H35NO6 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO6/c1-24-11-9-16(27)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)32-23(31)8-7-21(28)26-14-22(29)30/h13,17-20H,3-12,14H2,1-2H3,(H,26,28)(H,29,30)/t17?,18?,19?,20?,24-,25-/m0/s1InChIKey
RLFOIGCXWCVLEV-OQQXCLJYSA-NSynonyms
16398191
2((4(((10R13S)1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)aceticacid
2(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)aceticacid
InChI=1SC25H35NO6c12411916(27)1315(24)3417185620(25(182)121019(17)24)3223(31)8721(28)261422(29)30h131720H31214H212H3(H2628)(H2930)t17?18?19?20?2425m0s1
N(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)glycine
O=C(NCC(=O)O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000012661570
ZINC000253499913
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