Vitas-M small molecule compound
(9xi,14xi,16alpha)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl 3-(piperidin-1-yl)propanoate
Catalog ID
STL536925
SMILES O=C(OC1CC[C@]2(C(=CC[C@@H]3C2CC[C@]2(C3C[C@H]([C@]2(O)C(=O)C)C)C)C1)C)CCN1CCCCC1
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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 C30H47NO4 MW 485.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H47NO4/c1-20-18-26-24-9-8-22-19-23(35-27(33)12-17-31-15-6-5-7-16-31)10-13-28(22,3)25(24)11-14-29(26,4)30(20,34)21(2)32/h8,20,23-26,34H,5-7,9-19H2,1-4H3/t20-,23?,24-,25?,26?,28+,29+,30+/m1/s1InChIKey
YFNPVWRSYRXVRN-ZCWLYNPFSA-NSynonyms
((8~(R)10~(R)13~(S)16~(R)17~(R))17acetyl17hydroxy101316trimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)3piperidin1ylpropanoate
(3S8R9S10R13S14S16R17R)17acetyl17hydroxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3(piperidin1yl)propanoate
(9xi14xi16alpha)17hydroxy16methyl20oxopregn5en3yl3(piperidin1yl)propanoate
75537277
InChI=1SC30H47NO4c12018262498221923(3527(33)121731156571631)101328(223)25(24)111429(264)30(2034)21(2)32h820232634H57919H214H3t2023?2425?26?28+29+30+m1s1
MFCD05673205
O=C(O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@H)((C@)2(O)C(=O)C)C)C)C1)C)CCN1CCCCC1
ZINC000253532695
ZINC000253532698
Check stock
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Check stock on Vitas-MAvailable files
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