Vitas-M small molecule compound
N-[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine
Catalog ID
STL525961
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NC(C(=O)O)Cc3ccccc3)/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 C32H42N2O8 MW 582.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O8/c1-30-12-10-21(34-42-18-27(38)33-24(29(39)40)14-19-6-4-3-5-7-19)15-20(30)8-9-22-23-11-13-32(41,26(37)17-35)31(23,2)16-25(36)28(22)30/h3-7,15,22-25,28,35-36,41H,8-14,16-18H2,1-2H3,(H,33,38)(H,39,40)/b34-21-/t22?,23?,24?,25?,28?,30-,31-,InChIKey
KLVFPBQMCBMXDO-DMTUVOMKSA-NSynonyms
2((2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoicacid2(2((((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylpropanoicacid
N(((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)phenylalanine
OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=NOCC(=O)NC(C(=O)O)Cc3ccccc3)CC(C@)12C
Registry IDs
MFCD02059333ZINC000257360834
ZINC000257360837
Check stock
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Check stock on Vitas-MAvailable files
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