Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,10xi,13xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalaninate
Catalog ID
STL536928
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C/1\CCC2(C(=C1)CCC1C2CCC2(C1CC[C@]2(O)C(=O)C)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 C33H44N2O6 MW 564.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O6/c1-21(36)33(39)17-14-27-25-11-10-23-19-24(12-15-31(23,2)26(25)13-16-32(27,33)3)35-41-20-29(37)34-28(30(38)40-4)18-22-8-6-5-7-9-22/h5-9,19,25-28,39H,10-18,20H2,1-4H3,(H,34,37)/b35-24+/t25?,26?,27?,28?,31?,32?,33-/m0/s1InChIKey
XOXKKMSFKNJTJO-HZJXJPHKSA-NSynonyms
44664264
COC(=O)C(Cc1ccccc1)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
InChI=1SC33H44N2O6c121(36)33(39)171427251110231924(121531(232)26(25)131632(2733)3)35412029(37)3428(30(38)404)18228657922h5919252839H101820H214H3(H3437)b3524+t25?26?27?28?31?32?33m0s1
methyl2((2((~(E))((17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoate
methyl2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylpropanoate
methylN(((((3E8xi9xi10xi13xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)phenylalaninate
ZINC000253502781
ZINC000253502790
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.