Vitas-M small molecule compound

methyl N-[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]phenylalaninate

Catalog ID
STL525353
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

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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 C31H42N2O5 MW 522.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O5/c1-30-15-13-22(18-21(30)9-10-23-24-11-12-27(34)31(24,2)16-14-25(23)30)33-38-19-28(35)32-26(29(36)37-3)17-20-7-5-4-6-8-20/h4-8,18,23-27,34H,9-17,19H2,1-3H3,(H,32,35)/b33-22-/t23?,24?,25?,26?,27?,30-,31-/m0/s1
InChIKey
SEORXHZLSXQMQN-TUMDQPQWSA-N
Synonyms

16396509
COC(=O)C(Cc1ccccc1)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
InChI=1SC31H42N2O5c130151322(1821(30)9102324111227(34)31(242)161425(23)30)33381928(35)3226(29(36)373)17207546820h4818232734H91719H213H3(H3235)b3322t23?24?25?26?27?3031m0s1
methyl2((2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoate
methyl2(2(((Z)((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylpropanoate
methylN(((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)phenylalaninate
MFCD01881351
ZINC000008762140
ZINC000253499963

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Available files

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