Vitas-M small molecule compound
(2Z)-2-[(8xi,9xi,14xi,17Z)-3-hydroxyandrost-5-en-17-ylidene]hydrazinecarbothioamide
Catalog ID
STL526173
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC/C/2=N/NC(=S)N)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 C20H31N3OS MW 361.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31N3OS/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h3,13-16,24H,4-11H2,1-2H3,(H3,21,23,25)/b22-17-/t13?,14?,15?,16?,19-,20-/m0/s1InChIKey
MOQTVGQHEGMMDS-OGUQNDCBSA-NSynonyms
((~(Z))((10~(R)13~(S))3hydroxy1013dimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren17ylidene)amino)thiourea
(2Z)2((8xi9xi14xi17Z)3hydroxyandrost5en17ylidene)hydrazinecarbothioamide
(Z)2((10R13S)3hydroxy1013dimethyl347891112131516decahydro1Hcyclopenta(a)phenanthren17(2H10H14H)ylidene)hydrazinecarbothioamide
16397279
InChI=1SC20H31N3OSc1199713(24)1112(19)3414155617(222318(21)25)20(152)10816(14)19h3131624H411H212H3(H3212325)b2217t13?14?15?16?1920m0s1
MFCD02925639
OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2=NNC(=S)N)C)C1)C
ZINC000004028980
ZINC000253499705
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