Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone
Catalog ID
STK302134
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=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 C26H23Cl2N5O3 MW 524.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23Cl2N5O3/c1-2-31-15-22(33(35)36)24(29-31)26(34)32-25(17-8-12-20(28)13-9-17)21-5-3-4-18(23(21)30-32)14-16-6-10-19(27)11-7-16/h6-15,21,25H,2-5H2,1H3/b18-14+InChIKey
UAYJPLCMXFVGAD-NBVRZTHBSA-NSynonyms
512815-68-8((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(1ETHYL4NITROPYRAZOL3YL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(1ethyl4nitro1Hpyrazol3yl)methanone
512815688
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)Cl)C3=N2)C5=CC=C(C=C5)Cl)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCCC2=Cc1ccc(cc1)Cl
InChI=1SC26H23Cl2N5O3c12311522(33(35)36)24(2931)26(34)3225(1781220(28)13917)2153418(23(21)3032)141661019(27)11716h6152125H25H21H3b1814+
MFCD03467206
ZINC000008455593
ZINC000008455596
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