Vitas-M small molecule compound

methyl N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)phenylalaninate

Catalog ID
STL524631
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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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 C33H43NO6 MW 549.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43NO6/c1-32-17-15-23(35)20-22(32)9-10-24-25-11-12-28(33(25,2)18-16-26(24)32)40-30(37)14-13-29(36)34-27(31(38)39-3)19-21-7-5-4-6-8-21/h4-8,20,24-28H,9-19H2,1-3H3,(H,34,36)/t24?,25?,26?,27?,28?,32-,33-/m0/s1
InChIKey
OSBLCQUEJHTRHA-XYJJNPRZSA-N
Synonyms

((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4((1methoxy1oxo3phenylpropan2yl)amino)4oxobutanoate
(8R9S10R13S14S17S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4((1methoxy1oxo3phenylpropan2yl)amino)4oxobutanoate
135638961
COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)O(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC33H43NO6c132171523(35)2022(32)9102425111228(33(252)181626(24)32)4030(37)141329(36)3427(31(38)393)19217546821h48202428H919H213H3(H3436)t24?25?26?27?28?3233m0s1
methylN(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)phenylalaninate
MFCD02057581
ZINC000504727565
ZINC001772491785

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Available files

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