Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi,17beta)-11,17-dihydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]-5-hydroxytryptophan
Catalog ID
STL528913
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cc(O)cc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(C)O)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 C33H43N3O7 MW 593.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O7/c1-31-10-8-20(13-19(31)4-6-22-24-9-11-33(3,42)32(24,2)15-27(38)29(22)31)36-43-17-28(39)35-26(30(40)41)12-18-16-34-25-7-5-21(37)14-23(18)25/h5,7,13-14,16,22,24,26-27,29,34,37-38,42H,4,6,8-12,15,17H2,1-3H3,(H,35,39)(H,40,41)/b36-20+/t22?InChIKey
LVCHBVZMKQKTID-QJJQTYPRSA-NSynonyms
2((2((~(E))((10~(R)13~(S)17~(S))1117dihydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(5hydroxy1~(H)indol3yl)propanoicacid
44660864
InChI=1SC33H43N3O7c13110820(1319(31)46222491133(342)32(242)1527(38)29(22)31)36431728(39)3526(30(40)41)12181634257521(37)1423(18)25h57131416222426272934373842H468121517H213H3(H3539)(H4041)b3620+t22?24?26?27?29?313233m0s1
MFCD05724559
N(((((3E8xi9xi14xi17beta)1117dihydroxy17methylandrost4en3ylidene)amino)oxy)acetyl)5hydroxytryptophan
ZINC000257361130
ZINC000257361145
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