Vitas-M small molecule compound
methyl 3-nitro-N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)tyrosinate
Catalog ID
STL527010
SMILES COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)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 C33H42N2O9 MW 610.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O9/c1-32-14-12-21(36)18-20(32)5-6-22-23-7-9-28(33(23,2)15-13-24(22)32)44-30(39)11-10-29(38)34-25(31(40)43-3)16-19-4-8-27(37)26(17-19)35(41)42/h4,8,17-18,22-25,28,37H,5-7,9-16H2,1-3H3,(H,34,38)/t22?,23?,24?,25?,28?,32-,33-/m0/s1InChIKey
ZIMARCRHCBMDKZ-WSGMYZLOSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4((3(4hydroxy3nitrophenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
(10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4((3(4hydroxy3nitrophenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
16397480
COC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))O)NC(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC33H42N2O9c132141221(36)1820(32)5622237928(33(232)151324(22)32)4430(39)111029(38)3425(31(40)433)16194827(37)26(1719)35(41)42h48171822252837H57916H213H3(H3438)t22?23?24?25?28?3233m0s1
methyl3nitroN(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)tyrosinate
MFCD03006130
ZINC000253506946
ZINC000253506956
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.