Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-17-(acetylamino)androst-5-ene-3,16-diyl dibutanoate
Catalog ID
STL526970
SMILES CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2NC(=O)C)OC(=O)CCC)C)C1)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 C29H45NO5 MW 487.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45NO5/c1-6-8-25(32)34-20-12-14-28(4)19(16-20)10-11-21-22(28)13-15-29(5)23(21)17-24(27(29)30-18(3)31)35-26(33)9-7-2/h10,20-24,27H,6-9,11-17H2,1-5H3,(H,30,31)/t20?,21?,22?,23?,24-,27?,28+,29+/m1/s1InChIKey
JRXLFNJQTLWQPW-YMHRDBLOSA-NSynonyms
((10~(R)13~(S)16~(R))17acetamido16butanoyloxy1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)butanoate
(3R8R9S10R13S14S16R)17acetamido1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthrene316diyldibutyrate
(8xi9xi14xi16alpha)17(acetylamino)androst5ene316diyldibutanoate
135639211
CCCC(=O)O(C@@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@H)(C2NC(=O)C)OC(=O)CCC)C)C1)C
InChI=1SC29H45NO5c16825(32)3420121428(4)19(1620)10112122(28)131529(5)23(21)1724(27(29)3018(3)31)3526(33)972h10202427H691117H215H3(H3031)t20?21?22?23?2427?28+29+m1s1
MFCD03006174
ZINC001772492249
ZINC001772492252
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