Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi,17beta)-11,17-dihydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Catalog ID
STL528683
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)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 C33H43N3O6 MW 577.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O6/c1-31-12-10-21(15-20(31)8-9-23-24-11-13-33(3,41)32(24,2)16-27(37)29(23)31)36-42-18-28(38)35-26(30(39)40)14-19-17-34-25-7-5-4-6-22(19)25/h4-7,15,17,23-24,26-27,29,34,37,41H,8-14,16,18H2,1-3H3,(H,35,38)(H,39,40)/b36-21+/t23?,24?,26?,27?,InChIKey
JBTNOWZKLJGRBH-AXDYVZADSA-NSynonyms
2((2((~(E))((10~(R)13~(S)17~(S))1117dihydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoicacid
44661546
InChI=1SC33H43N3O6c131121021(1520(31)892324111333(341)32(242)1627(37)29(23)31)36421828(38)3526(30(39)40)1419173425754622(19)25h4715172324262729343741H8141618H213H3(H3538)(H3940)b3621+t23?24?26?27?29?313233m0s1
MFCD05728232
N(((((3E8xi9xi14xi17beta)1117dihydroxy17methylandrost4en3ylidene)amino)oxy)acetyl)tryptophan
ZINC000257360812
ZINC000257360815
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