Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Catalog ID
STL526195
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)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 C32H41N3O5 MW 547.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N3O5/c1-31-13-11-21(16-20(31)7-8-23-24-9-10-28(36)32(24,2)14-12-25(23)31)35-40-18-29(37)34-27(30(38)39)15-19-17-33-26-6-4-3-5-22(19)26/h3-6,16-17,23-25,27-28,33,36H,7-15,18H2,1-2H3,(H,34,37)(H,38,39)/b35-21+/t23?,24?,25?,27?,28?,31-,32-/m0/InChIKey
LCJDAFMZOUARBI-WEQXICPYSA-NSynonyms
(2S)2(2(((E)((8R9S10R13S14S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoicacid
135639141
2((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoicacid
InChI=1SC32H41N3O5c131131121(1620(31)78232491028(36)32(242)141225(23)31)35401829(37)3427(30(38)39)1519173326643522(19)26h361617232527283336H71518H212H3(H3437)(H3839)b3521+t23?24?25?27?28?3132m0s1
MFCD02925820
N(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)tryptophan
O=C(N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CCC2O)C)C
ZINC001772492058
ZINC001772492061
Check stock
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