Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi,17alpha)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-(thiophen-2-ylmethyl)acetamide
Catalog ID
STL526324
SMILES O=C(NCc1cccs1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)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 C26H36N2O3S MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3S/c1-25-11-9-18(28-31-16-24(30)27-15-19-4-3-13-32-19)14-17(25)5-6-20-21-7-8-23(29)26(21,2)12-10-22(20)25/h3-4,13-14,20-23,29H,5-12,15-16H2,1-2H3,(H,27,30)/b28-18-/t20?,21?,22?,23-,25+,26+/m1/s1InChIKey
ILBQPUONEWYHNJ-VGRWHAIBSA-NSynonyms
16397264
2((((10R13S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(thiophen2ylmethyl)acetamide
2((((3Z8xi9xi14xi17alpha)17hydroxyandrost4en3ylidene)amino)oxy)N(thiophen2ylmethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(thiophen2ylmethyl)acetamide
InChI=1SC26H36N2O3Sc12511918(28311624(30)27151943133219)1417(25)5620217823(29)26(212)121022(20)25h341314202329H5121516H212H3(H2730)b2818t20?21?22?2325+26+m1s1
MFCD02925547
O=C(NCc1cccs1)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@H)2O)C)C
ZINC000012660265
ZINC000257372816
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