Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-chloro-3-nitrophenyl)methanone
Catalog ID
STK889052
SMILES Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C27H20Cl3N3O3 MW 540.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Cl3N3O3/c28-20-9-4-16(5-10-20)14-18-2-1-3-22-25(18)31-32(26(22)17-6-11-21(29)12-7-17)27(34)19-8-13-23(30)24(15-19)33(35)36/h4-15,22,26H,1-3H2/b18-14+InChIKey
VPRGRGQLRLNGBU-NBVRZTHBSA-NSynonyms
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(4chloro3nitrophenyl)methanone
(4CHLORO3NITROPHENYL)((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)Cl)C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC27H20Cl3N3O3c28209416(51020)14182132225(18)3132(26(22)1761121(29)12717)27(34)1981323(30)24(1519)33(35)36h4152226H13H2b1814+
MFCD01627301
ZINC000096022820
ZINC000102956344
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