Vitas-M small molecule compound
N-[2-(4-hydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Catalog ID
STL542578
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCCc3ccc(cc3)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 C31H42N2O7 MW 554.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O7/c1-29-12-9-21(33-40-18-27(38)32-14-11-19-3-6-22(35)7-4-19)15-20(29)5-8-23-24-10-13-31(39,26(37)17-34)30(24,2)16-25(36)28(23)29/h3-4,6-7,15,23-25,28,34-36,39H,5,8-14,16-18H2,1-2H3,(H,32,38)/b33-21-/t23?,24?,25?,28?,29-,30-,31-/m0/s1InChIKey
RJEHFICEWKFKNX-FSOTVZJUSA-NSynonyms
2((((8S9S10R11S13S14S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(4hydroxyphenethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(4hydroxyphenyl)ethyl)acetamide
44663827
InChI=1SC31H42N2O7c12912921(33401827(38)321411193622(35)7419)1520(29)582324101331(3926(37)1734)30(242)1625(36)28(23)29h346715232528343639H58141618H212H3(H3238)b3321t23?24?25?28?293031m0s1
MFCD02925335
N(2(4hydroxyphenyl)ethyl)2((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetamide
OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCCc3ccc(cc3)O)CC(C@)12C
ZINC000253503546
ZINC000253503554
Check stock
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Check stock on Vitas-MAvailable files
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