Vitas-M small molecule compound
4-({[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoic acid
Catalog ID
STL538131
SMILES O=C(NCc1ccc(cc1)C(=O)O)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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-28-13-10-22(32-37-18-26(33)31-17-19-4-6-20(7-5-19)27(34)35)16-21(28)8-9-23-24(28)11-14-29(2)25(23)12-15-30(29,3)36/h4-7,10,13,16,23-25,36H,8-9,11-12,14-15,17-18H2,1-3H3,(H,31,33)(H,34,35)/b32-22+/t23?,24?,25?,28-,29-,30-/m0/s1InChIKey
BFCOXYSQFYFQOO-YJYAZBJYSA-NSynonyms
16399642
4(((((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)amino)methyl)benzoicacid
4(((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)methyl)benzoicacid
4((2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)methyl)benzoicacid
InChI=1SC30H38N2O5c128131022(32371826(33)3117194620(7519)27(34)35)1621(28)892324(28)111429(2)25(23)121530(293)36h47101316232536H89111214151718H213H3(H3133)(H3435)b3222+t23?24?25?282930m0s1
MFCD04144826
O=C(NCc1ccc(cc1)C(=O)O)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000012859431
ZINC000257372722
Check stock
See real-time availability and sample size for STL538131 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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