Vitas-M small molecule compound
(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl 4-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL526730
SMILES O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)O
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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 C31H41NO6 MW 523.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41NO6/c1-30-14-11-21(33)18-20(30)4-5-22-23-6-8-27(31(23,2)15-12-24(22)30)38-29(37)10-9-28(36)32-16-13-19-3-7-25(34)26(35)17-19/h3,7,17-18,22-24,27,34-35H,4-6,8-16H2,1-2H3,(H,32,36)/t22?,23?,24?,27?,30-,31-/m0/s1InChIKey
YDMCLXDDLUXFDR-WVJHPFMTSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4(2(34dihydroxyphenyl)ethylamino)4oxobutanoate
(8R9S10R13S14S17S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4((34dihydroxyphenethyl)amino)4oxobutanoate
(8xi9xi14xi)3oxoandrost4en17yl4((2(34dihydroxyphenyl)ethyl)amino)4oxobutanoate
135639191
InChI=1SC31H41NO6c130141121(33)1820(30)4522236827(31(232)151224(22)30)3829(37)10928(36)321613193725(34)26(35)1719h3717182224273435H46816H212H3(H3236)t22?23?24?27?3031m0s1
MFCD03005872
O=C(CCC(=O)O(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCc1ccc(c(c1)O)O
ZINC000504779659
ZINC001772492490
Check stock
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