Vitas-M small molecule compound
({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetic acid
Catalog ID
STL536628
SMILES OC(=O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[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 C22H33NO4 MW 375.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO4/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/h12,16-18,26H,4-11,13H2,1-3H3,(H,24,25)/b23-15+/t16-,17?,18?,20+,21+,22+/m1/s1InChIKey
VUVNLXFEGKNTAK-QXKKRBDTSA-NSynonyms
((((3E9xi14xi17beta)17hydroxy17methylandrost4en3ylidene)amino)oxy)aceticacid
135639468
2((((8R9S10R13S14S17S)17hydroxy101317trimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)aceticacid
2((~(E))((8~(R)10~(R)13~(S)17~(S))17hydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyaceticacid
InChI=1SC22H33NO4c1209615(23271319(24)25)1214(20)451617(20)71021(2)18(16)81122(213)26h12161826H41113H213H3(H2425)b2315+t1617?18?20+21+22+m1s1
OC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)C
ZINC000012879186
ZINC001772492587
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