Vitas-M small molecule compound

(4-chloro-1-ethyl-1H-pyrazol-3-yl)[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone

Catalog ID
STK302147
SMILES CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc(cc1)F)CCC/C/2=C\c1ccc(cc1)F)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 C26H23ClF2N4O MW 480.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClF2N4O/c1-2-32-15-22(27)24(30-32)26(34)33-25(17-8-12-20(29)13-9-17)21-5-3-4-18(23(21)31-33)14-16-6-10-19(28)11-7-16/h6-15,21,25H,2-5H2,1H3/b18-14+
InChIKey
BBQWRTPGSQMHSJ-NBVRZTHBSA-N
Synonyms
512815-83-7
(4chloro1ethyl1Hpyrazol3yl)((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)methanone
(4CHLORO1ETHYLPYRAZOL3YL)((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512815837
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F)Cl
CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc(cc1)F)CCCC2=Cc1ccc(cc1)F)Cl
InChI=1SC26H23ClF2N4Oc12321522(27)24(3032)26(34)3325(1781220(29)13917)2153418(23(21)3133)141661019(28)11716h6152125H25H21H3b1814+
MFCD03467266
ZINC000008455571
ZINC000008455574

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Available files

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