Vitas-M small molecule compound
(5R,6R)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-5-phenyl-3-(thiophen-2-yl)cyclohex-2-en-1-one
Catalog ID
STK753679
SMILES O=C1C=C(C[C@@H]([C@H]1n1cnc(n1)[N+](=O)[O-])c1ccccc1)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 C18H14N4O3S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O3S/c23-15-10-13(16-7-4-8-26-16)9-14(12-5-2-1-3-6-12)17(15)21-11-19-18(20-21)22(24)25/h1-8,10-11,14,17H,9H2/t14-,17-/m1/s1InChIKey
WQFXMBBDKDFVAK-RHSMWYFYSA-NSynonyms
(5R6R)6(3NITRO(124TRIAZOLYL))5PHENYL3(2THIENYL)CYCLOHEX2EN1ONE
(5R6R)6(3NITRO124TRIAZOL1YL)5PHENYL3THIOPHEN2YLCYCLOHEX2EN1ONE
(5R6R)6(3nitro1H124triazol1yl)5phenyl3(thiophen2yl)cyclohex2en1one
C1C(C(C(=O)C=C1C2=CC=CS2)N3C=NC(=N3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC18H14N4O3Sc23151013(167482616)914(125213612)17(15)21111918(2021)22(24)25h1810111417H9H2t1417m1s1
MFCD13372038
O=C1C=C(C(C@@H)((C@H)1n1cnc(n1)(N+)(=O)(O))c1ccccc1)c1cccs1
ZINC000001056204
ZINC01056204
ZINC1056204
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