Vitas-M small molecule compound
N'-[(8xi,9xi,14xi,17Z)-3-hydroxyandrost-5-en-17-ylidene]pyridine-4-carbohydrazide
Catalog ID
STL566047
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC/C/2=N/NC(=O)c2ccncc2)C)C1)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 C25H33N3O2 MW 407.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O2/c1-24-11-7-18(29)15-17(24)3-4-19-20-5-6-22(25(20,2)12-8-21(19)24)27-28-23(30)16-9-13-26-14-10-16/h3,9-10,13-14,18-21,29H,4-8,11-12,15H2,1-2H3,(H,28,30)/b27-22-/t18?,19?,20?,21?,24-,25-/m0/s1InChIKey
XTRFLDXRIWZDQW-VNHLECCKSA-NSynonyms
(Z)N((3S8R9S10R13S14S)3hydroxy1013dimethyl347891112131516decahydro1Hcyclopenta(a)phenanthren17(2H10H14H)ylidene)isonicotinohydrazide
145705582
InChI=1SC25H33N3O2c12411718(29)1517(24)3419205622(25(202)12821(19)24)272823(30)1691326141016h39101314182129H48111215H212H3(H2830)b2722t18?19?20?21?2425m0s1
N((8xi9xi14xi17Z)3hydroxyandrost5en17ylidene)pyridine4carbohydrazide
N((Z)((10R13S)3hydroxy1013dimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren17ylidene)amino)pyridine4carboxamide
O(C@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3CCC2=NNC(=O)c2ccncc2)C)C1)C
ZINC000005535161
ZINC001848443875
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