Vitas-M small molecule compound
3-phenyl-4-{[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}butanoic acid
Catalog ID
STL529458
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=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 C33H44N2O8 MW 596.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O8/c1-31-12-10-23(35-43-19-28(39)34-17-21(14-29(40)41)20-6-4-3-5-7-20)15-22(31)8-9-24-25-11-13-33(42,27(38)18-36)32(25,2)16-26(37)30(24)31/h3-7,15,21,24-26,30,36-37,42H,8-14,16-19H2,1-2H3,(H,34,39)(H,40,41)/b35-23-/t21?,24?,25?,26?,30?,31InChIKey
SUEVDGAUQVQWFG-RSMDOQRMSA-NSynonyms
3phenyl4((((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)amino)butanoicacid
4((2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylbutanoicacid
4(2(((Z)((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylbutanoicacid
44663341
InChI=1SC33H44N2O8c131121023(35431928(39)341721(1429(40)41)206435720)1522(31)892425111333(4227(38)1836)32(252)1626(37)30(24)31h371521242630363742H8141619H212H3(H3439)(H4041)b3523t21?24?25?26?30?313233m0s1
MFCD05737979
OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=NOCC(=O)NCC(c3ccccc3)CC(=O)O)CC(C@)12C
ZINC000253503679
ZINC000253503688
Check stock
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Check stock on Vitas-MAvailable files
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