Vitas-M small molecule compound
({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetic acid
Catalog ID
STL526987
SMILES OC(=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 C22H31NO4 MW 373.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO4/c1-20-9-6-15(23-27-13-19(24)25)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,3)26/h6,9,12,16-18,26H,4-5,7-8,10-11,13H2,1-3H3,(H,24,25)/b23-15+/t16?,17?,18?,20-,21-,22-/m0/s1InChIKey
RLZYCYTZQGHRMD-UMQSYUIFSA-NSynonyms
((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)aceticacid
16397446
2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)aceticacid
2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyaceticacid
InChI=1SC22H31NO4c1209615(23271319(24)25)1214(20)451617(20)71021(2)18(16)81122(213)26h6912161826H4578101113H213H3(H2425)b2315+t16?17?18?202122m0s1
MFCD03006009
OC(=O)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000004029398
ZINC000257372881
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