Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Catalog ID
STL525142
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=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 C34H43N3O5 MW 573.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43N3O5/c1-20(38)26-10-11-27-25-9-8-22-17-23(12-14-33(22,2)28(25)13-15-34(26,27)3)37-42-19-31(39)36-30(32(40)41)16-21-18-35-29-7-5-4-6-24(21)29/h4-7,17-18,25-28,30,35H,8-16,19H2,1-3H3,(H,36,39)(H,40,41)/b37-23+/t25?,26?,27?,28?,30?,33-,34+/m0/InChIKey
QLSKKZPCPDCUDT-SBXOVOLRSA-NSynonyms
16396901
2((2((~(E))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoicacid
2(2((((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoicacid
InChI=1SC34H43N3O5c120(38)261011272598221723(121433(222)28(25)131534(2627)3)37421931(39)3630(32(40)41)1621183529754624(21)29h47171825283035H81619H213H3(H3639)(H4041)b3723+t25?26?27?28?30?3334+m0s1
MFCD02115452
N(((((3E8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)tryptophan
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
ZINC000253503506
ZINC000253503515
Check stock
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