Vitas-M small molecule compound
(5S,6R)-6-(4-nitro-1H-imidazol-1-yl)-5-(thiophen-2-yl)-3-[(E)-2-(thiophen-2-yl)ethenyl]cyclohex-2-en-1-one
Catalog ID
STK753678
SMILES O=C1C=C(/C=C/c2cccs2)C[C@@H]([C@H]1n1cnc(c1)[N+](=O)[O-])c1cccs1
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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 C19H15N3O3S2 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O3S2/c23-16-10-13(5-6-14-3-1-7-26-14)9-15(17-4-2-8-27-17)19(16)21-11-18(20-12-21)22(24)25/h1-8,10-12,15,19H,9H2/b6-5+/t15-,19-/m1/s1InChIKey
AKCYRUIIQGBLSN-XWMIQMMGSA-NSynonyms
(5S6R)6(4nitro1Himidazol1yl)5(thiophen2yl)3((E)2(thiophen2yl)ethenyl)cyclohex2en1one
(5S6R)6(4NITROIMIDAZOL1YL)5THIOPHEN2YL3((E)2THIOPHEN2YLETHENYL)CYCLOHEX2EN1ONE
C1C(C(C(=O)C=C1C=CC2=CC=CS2)N3C=C(N=C3)(N+)(=O)(O))C4=CC=CS4
InChI=1SC19H15N3O3S2c23161013(56143172614)915(174282717)19(16)211118(201221)22(24)25h1810121519H9H2b65+t1519m1s1
MFCD13372037
O=C1C=C(C=Cc2cccs2)C(C@@H)((C@H)1n1cnc(c1)(N+)(=O)(O))c1cccs1
ZINC000004074165
ZINC04074165
ZINC4074165
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