Vitas-M small molecule compound

(9xi,14xi,16alpha)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl 3-(morpholin-4-yl)propanoate

Catalog ID
STL537388
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)CCN1CCOCC1

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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/c1-19-17-25-23-6-5-21-18-22(35-26(32)9-12-30-13-15-34-16-14-30)7-10-27(21,3)24(23)8-11-28(25,4)29(19,33)20(2)31/h5,19,22-25,33H,6-18H2,1-4H3/t19-,22?,23-,24?,25?,27+,28+,29+/m1/s1
InChIKey
UEBUFYWOGSAVPX-WLJUFBGLSA-N
Synonyms

((8~(R)10~(R)13~(S)16~(R)17~(R))17acetyl17hydroxy101316trimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)3morpholin4ylpropanoate
(3S8R9S10R13S14S16R17R)17acetyl17hydroxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3morpholinopropanoate
(9xi14xi16alpha)17hydroxy16methyl20oxopregn5en3yl3(morpholin4yl)propanoate
135639488
InChI=1SC29H45NO5c11917252365211822(3526(32)91230131534161430)71027(213)24(23)81128(254)29(1933)20(2)31h519222533H618H214H3t1922?2324?25?27+28+29+m1s1
MFCD05675779
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)CCN1CCOCC1
ZINC001772492575
ZINC001772492578

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.