Vitas-M small molecule compound
(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl 4-oxo-4-{[(3R)-2-oxoazepan-3-yl]amino}butanoate
Catalog ID
STL552714
SMILES O=C(NC1CCCCNC1=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 C29H42N2O5 MW 498.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42N2O5/c1-28-14-12-19(32)17-18(28)6-7-20-21-8-9-24(29(21,2)15-13-22(20)28)36-26(34)11-10-25(33)31-23-5-3-4-16-30-27(23)35/h17,20-24H,3-16H2,1-2H3,(H,30,35)(H,31,33)/t20?,21?,22?,23?,24?,28-,29-/m0/s1InChIKey
MCPMIWGRLMMYAQ-ZAXRVODQSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4oxo4((2oxoazepan3yl)amino)butanoate
(8R9S10R13S14S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4oxo4(((R)2oxoazepan3yl)amino)butanoate
(8xi9xi14xi)3oxoandrost4en17yl4oxo4(((3R)2oxoazepan3yl)amino)butanoate
135640845
InChI=1SC29H42N2O5c128141219(32)1718(28)6720218924(29(212)151322(20)28)3626(34)111025(33)3123534163027(23)35h172024H316H212H3(H3035)(H3133)t20?21?22?23?24?2829m0s1
O=C(NC1CCCCNC1=O)CCC(=O)OC1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC001772493120
ZINC001772493123
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