Vitas-M small molecule compound
2-azido-1-[(7Z)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STK993780
SMILES [N-]=[N+]=NCC(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCC/C/2=C/c1ccc(cc1)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 C22H19Cl2N5O MW 440.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2N5O/c23-17-8-4-14(5-9-17)12-16-2-1-3-19-21(16)27-29(20(30)13-26-28-25)22(19)15-6-10-18(24)11-7-15/h4-12,19,22H,1-3,13H2/b16-12-InChIKey
FANNRODASUFRCI-VBKFSLOCSA-NSynonyms
(N)=(N+)=NCC(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCCC2=Cc1ccc(cc1)Cl
2azido1((7Z)3(4chlorophenyl)7((4chlorophenyl)methylidene)3a456tetrahydro3Hindazol2yl)ethanone
2azido1((7Z)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)ethanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)CN=(N+)=(N))C4=CC=C(C=C4)Cl
InChI=1SC22H19Cl2N5Oc23178414(5917)12162131921(16)2729(20(30)13262825)22(19)1561018(24)11715h4121922H1313H2b1612
MFCD18185031
ZINC000097965261
ZINC000097965264
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