Vitas-M small molecule compound

4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid

Catalog ID
STL525696
SMILES OC(=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 C23H32O5 MW 388.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16?,17?,18?,19?,22-,23-/m0/s1
InChIKey
CJQNBXFUHQZFOE-ANUSRGAUSA-N
Synonyms

16395642
4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoicacid
4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanoicacid
4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoicacid
InChI=1SC23H32O5c12211915(24)1314(22)3416175619(23(172)121018(16)22)2821(27)8720(25)26h131619H312H212H3(H2526)t16?17?18?19?2223m0s1
MFCD01545812
OC(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000004025720
ZINC000253499057

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Available files

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