Vitas-M small molecule compound

N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]tryptophan

Catalog ID
STL529241
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[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 C33H41N3O5 MW 559.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O5/c1-31-13-10-22(17-21(31)8-9-24-25(31)11-14-32(2)26(24)12-15-33(32,3)40)36-41-19-29(37)35-28(30(38)39)16-20-18-34-27-7-5-4-6-23(20)27/h4-7,10,13,17-18,24-26,28,34,40H,8-9,11-12,14-16,19H2,1-3H3,(H,35,37)(H,38,39)/b36-22+/t24?,25?,26?,28
InChIKey
LDEPIPTXRUTPCM-JUUGEHCWSA-N
Synonyms

16403943
2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoicacid
2(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoicacid
InChI=1SC33H41N3O5c131131022(1721(31)892425(31)111432(2)26(24)121533(323)40)36411929(37)3528(30(38)39)1620183427754623(20)27h47101317182426283440H891112141619H213H3(H3537)(H3839)b3622+t24?25?26?28?313233m0s1
MFCD05731055
N(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)tryptophan
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000118919033
ZINC000253505581

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Available files

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