Vitas-M small molecule compound
(4-chloro-3-nitrophenyl)[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889064
SMILES Fc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)F)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 C27H20ClF2N3O3 MW 507.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClF2N3O3/c28-23-13-8-19(15-24(23)33(35)36)27(34)32-26(17-6-11-21(30)12-7-17)22-3-1-2-18(25(22)31-32)14-16-4-9-20(29)10-5-16/h4-15,22,26H,1-3H2/b18-14+InChIKey
WTCSQFIIUQPWLP-NBVRZTHBSA-NSynonyms
(4CHLORO3NITROPHENYL)((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(4chloro3nitrophenyl)((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)F)C1)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C5=CC=C(C=C5)F
Fc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)F)C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC27H20ClF2N3O3c282313819(1524(23)33(35)36)27(34)3226(1761121(30)12717)2231218(25(22)3132)14164920(29)10516h4152226H13H2b1814+
MFCD01627389
ZINC000013302046
ZINC000013302056
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