Vitas-M small molecule compound
2-hydroxy-4-{[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}-3,3-dimethylbutanoic acid
Catalog ID
STL537392
SMILES O=C(NCC(C(C(=O)O)O)(C)C)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 C28H42N2O6 MW 502.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N2O6/c1-25(2,23(32)24(33)34)16-29-22(31)15-36-30-18-8-11-26(3)17(14-18)6-7-19-20(26)9-12-27(4)21(19)10-13-28(27,5)35/h8,11,14,19-21,23,32,35H,6-7,9-10,12-13,15-16H2,1-5H3,(H,29,31)(H,33,34)/b30-18+/t19?,20?,21?,23?,26-,27-,28-/m0/s1InChIKey
XZFSKAUTOQNPFT-LPEUULAKSA-NSynonyms
16402454
2hydroxy4((((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)amino)33dimethylbutanoicacid
2hydroxy4((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)33dimethylbutanoicacid
2hydroxy4(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)33dimethylbutanoicacid
InChI=1SC28H42N2O6c125(223(32)24(33)34)162922(31)1536301881126(3)17(1418)671920(26)91227(4)21(19)101328(275)35h811141921233235H6791012131516H215H3(H2931)(H3334)b3018+t19?20?21?23?262728m0s1
MFCD06493686
O=C(NCC(C(C(=O)O)O)(C)C)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000012877162
ZINC000257372967
Check stock
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Check stock on Vitas-MAvailable files
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