Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-chloro-5-nitrophenyl)methanone
Catalog ID
STK889053
SMILES Clc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)Cl)/C2=NN1C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
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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/c28-19-8-4-16(5-9-19)14-18-2-1-3-22-25(18)31-32(26(22)17-6-10-20(29)11-7-17)27(34)23-15-21(33(35)36)12-13-24(23)30/h4-15,22,26H,1-3H2/b18-14+InChIKey
RVJNPKVPCKOEAF-NBVRZTHBSA-NSynonyms
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(2chloro5nitrophenyl)methanone
(2CHLORO5NITROPHENYL)((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)Cl)C2=NN1C(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC27H20Cl3N3O3c28198416(5919)14182132225(18)3132(26(22)1761020(29)11717)27(34)231521(33(35)36)121324(23)30h4152226H13H2b1814+
MFCD01627302
ZINC000102792595
ZINC000102955979
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