Vitas-M small molecule compound
(5R,6R)-6-(1H-benzotriazol-1-yl)-5-(3-nitrophenyl)-3-phenylcyclohex-2-en-1-one
Catalog ID
STK671674
SMILES O=C1C=C(C[C@@H]([C@H]1n1nnc2c1cccc2)c1cccc(c1)[N+](=O)[O-])c1ccccc1
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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 C24H18N4O3 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O3/c29-23-15-18(16-7-2-1-3-8-16)14-20(17-9-6-10-19(13-17)28(30)31)24(23)27-22-12-5-4-11-21(22)25-26-27/h1-13,15,20,24H,14H2/t20-,24-/m1/s1InChIKey
HUHMNGGUYZENEP-HYBUGGRVSA-NSynonyms
(5R6R)6(1Hbenzotriazol1yl)5(3nitrophenyl)3phenylcyclohex2en1one
(5R6R)6(BENZOTRIAZOL1YL)5(3NITROPHENYL)3PHENYLCYCLOHEX2EN1ONE
(5R6R)6BENZOTRIAZOLYL5(3NITROPHENYL)3PHENYLCYCLOHEX2EN1ONE
C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC24H18N4O3c29231518(167213816)1420(17961019(1317)28(30)31)24(23)272212541121(22)252627h113152024H14H2t2024m1s1
MFCD18246840
O=C1C=C(C(C@@H)((C@H)1n1nnc2c1cccc2)c1cccc(c1)(N+)(=O)(O))c1ccccc1
ZINC000001079178
ZINC01079178
ZINC1079178
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