Vitas-M small molecule compound
ethyl (3alpha,8xi,9xi,14xi,20R)-3-(acetyloxy)-20-cyano-17,20-epoxypregn-5-en-21-oate
Catalog ID
STL546481
SMILES CCOC(=O)[C@]1(C#N)O[C@]21CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CC[C@H](C1)OC(=O)C
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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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-5-30-22(29)25(15-27)26(32-25)13-10-21-19-7-6-17-14-18(31-16(2)28)8-11-23(17,3)20(19)9-12-24(21,26)4/h6,18-21H,5,7-14H2,1-4H3/t18-,19?,20?,21?,23+,24+,25+,26-/m1/s1InChIKey
PEDDBGCKUJLWLL-ZMBKQQLQSA-NSynonyms
(2R3R3R10R13S)ethyl3acetoxy3cyano1013dimethyl123478910111213141516tetradecahydrospiro(cyclopenta(a)phenanthrene172oxirane)3carboxylate
16399726
CCOC(=O)(C@)1(C#N)O(C@)21CCC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CC(C@H)(C1)OC(=O)C
ethyl(2~(R)3~(R)10~(R)13~(S)17~(R))3acetyloxy2cyano1013dimethylspiro(12347891112141516dodecahydrocyclopenta(a)phenanthrene173oxirane)2carboxylate
ethyl(3alpha8xi9xi14xi20R)3(acetyloxy)20cyano1720epoxypregn5en21oate
InChI=1SC26H35NO5c153022(29)25(1527)26(3225)1310211976171418(3116(2)28)81123(173)20(19)91224(2126)4h61821H5714H214H3t1819?20?21?23+24+25+26m1s1
MFCD01544605
ZINC000008917870
ZINC000253498747
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