Vitas-M small molecule compound
methyl 3-nitro-N-[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate
Catalog ID
STL529090
SMILES COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)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 C33H43N3O11 MW 657.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O11/c1-31-10-8-20(35-47-17-28(41)34-23(30(42)46-3)12-18-4-7-25(38)24(13-18)36(44)45)14-19(31)5-6-21-22-9-11-33(43,27(40)16-37)32(22,2)15-26(39)29(21)31/h4,7,13-14,21-23,26,29,37-39,43H,5-6,8-12,15-17H2,1-3H3,(H,34,41)/b35-20-/t21?,22?,23?InChIKey
PUAPOUIPTCFMNT-CDBGYVOCSA-NSynonyms
16404889
COC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2C(O)C(C@)2(C1CC(C@)2(O)C(=O)CO)C)C
InChI=1SC33H43N3O11c13110820(35471728(41)3423(30(42)463)12184725(38)24(1318)36(44)45)1419(31)56212291133(4327(40)1637)32(222)1526(39)29(21)31h47131421232629373943H568121517H213H3(H3441)b3520t21?22?23?26?29?313233m0s1
methyl2((2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxy3nitrophenyl)propanoate
methyl2(2(((Z)((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxy3nitrophenyl)propanoate
methyl3nitroN(((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)tyrosinate
MFCD05730382
ZINC000253506084
ZINC000253506090
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