Vitas-M small molecule compound
(5R,6R)-6-(3-nitro-1H-1,2,4-triazol-1-yl)-3,5-diphenylcyclohex-2-en-1-one
Catalog ID
STK754150
SMILES O=C1C=C(C[C@@H]([C@H]1n1cnc(n1)[N+](=O)[O-])c1ccccc1)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 C20H16N4O3 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3/c25-18-12-16(14-7-3-1-4-8-14)11-17(15-9-5-2-6-10-15)19(18)23-13-21-20(22-23)24(26)27/h1-10,12-13,17,19H,11H2/t17-,19-/m1/s1InChIKey
YEFOINVAAQTTLT-IEBWSBKVSA-NSynonyms
(5R6R)6(3NITRO(124TRIAZOLYL))35DIPHENYLCYCLOHEX2EN1ONE
(5R6R)6(3NITRO124TRIAZOL1YL)35DIPHENYLCYCLOHEX2EN1ONE
(5R6R)6(3nitro1H124triazol1yl)35diphenylcyclohex2en1one
C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C=NC(=N3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC20H16N4O3c25181216(147314814)1117(1595261015)19(18)23132120(2223)24(26)27h11012131719H11H2t1719m1s1
MFCD13372066
O=C1C=C(C(C@@H)((C@H)1n1cnc(n1)(N+)(=O)(O))c1ccccc1)c1ccccc1
ZINC000001056519
ZINC01056519
ZINC1056519
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