Vitas-M small molecule compound
ethyl (8xi,9xi,14xi,17Z)-20-cyanopregn-17-en-21-oate
Catalog ID
STL547099
SMILES CCOC(=O)/C(=C\1/CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CCCC2)/C#N
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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 C24H35NO2 MW 369.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H35NO2/c1-4-27-22(26)18(15-25)20-11-10-19-17-9-8-16-7-5-6-13-23(16,2)21(17)12-14-24(19,20)3/h16-17,19,21H,4-14H2,1-3H3/b20-18-/t16?,17?,19?,21?,23-,24-/m0/s1InChIKey
YDVVOXNUMWFYCY-APZPRCIZSA-NSynonyms
(Z)ethyl2cyano2((8R9S10S13S)1013dimethyldodecahydro1Hcyclopenta(a)phenanthren17(2H10H14H)ylidene)acetate
16395017
CCOC(=O)C(=C1CCC2(C@)1(C)CC(C@H)1(C@H)2CCC2(C@)1(C)CCCC2)C#N
ethyl(2~(Z))2cyano2((10~(S)13~(S))1013dimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17ylidene)acetate
ethyl(8xi9xi14xi17Z)20cyanopregn17en21oate
InChI=1SC24H35NO2c142722(26)18(1525)201110191798167561323(162)21(17)121424(1920)3h16171921H414H213H3b2018t16?17?19?21?2324m0s1
MFCD01083403
ZINC000012652309
ZINC000257372766
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