Vitas-M small molecule compound
4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoic acid
Catalog ID
STL542309
SMILES OC1CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(c3ccccc3)CC(=O)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 C31H42N2O5 MW 522.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O5/c1-30-14-12-23(17-22(30)8-9-24-25-10-11-27(34)31(25,2)15-13-26(24)30)33-38-19-28(35)32-18-21(16-29(36)37)20-6-4-3-5-7-20/h3-7,17,21,24-27,34H,8-16,18-19H2,1-2H3,(H,32,35)(H,36,37)/b33-23-/t21?,24?,25?,26?,27?,30-,31-/m0/s1InChIKey
KQGBJEZYOYEOPW-MWDVTLETSA-NSynonyms
4((((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)amino)3phenylbutanoicacid
4((2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylbutanoicacid
4(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylbutanoicacid
42648744
InChI=1SC31H42N2O5c130141223(1722(30)892425101127(34)31(252)151326(24)30)33381928(35)321821(1629(36)37)206435720h371721242734H8161819H212H3(H3235)(H3637)b3323t21?24?25?26?27?3031m0s1
MFCD03266061
OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NCC(c3ccccc3)CC(=O)O)CC(C@)12C
ZINC000257372767
ZINC000257372770
Check stock
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