Vitas-M small molecule compound
1'-(3-chloro-4-methylphenyl)-1,1'',3,3'',4'-pentamethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
Catalog ID
STL413134
SMILES Cn1nc(c(c1)c1c(C)c(nn1c1ccc(c(c1)Cl)C)c1cn(nc1C)C)C
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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 C21H23ClN6 MW 394.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN6/c1-12-7-8-16(9-19(12)22)28-21(18-11-27(6)24-15(18)4)13(2)20(25-28)17-10-26(5)23-14(17)3/h7-11H,1-6H3InChIKey
KXVDLUDSGDNIOF-UHFFFAOYSA-NSynonyms
1006356-52-01(3chloro4methylphenyl)11334pentamethyl1H1H1H4354terpyrazole
1(3chloro4methylphenyl)35bis(13dimethylpyrazol4yl)4methylpyrazole
1006356520
CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CN(N=C3C)C)C)C4=CN(N=C4C)C)Cl
InChI=1SC21H23ClN6c1127816(919(12)22)2821(181127(6)2415(18)4)13(2)20(2528)171026(5)2314(17)3h711H16H3
MFCD08553115
ZINC000036611600
ZINC36611600
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