Vitas-M small molecule compound
1-(3-chloro-4-methylphenyl)-5-methyl-N-[4-(propan-2-yl)benzyl]-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STK986594
SMILES O=C(c1nnn(c1C)c1ccc(c(c1)Cl)C)NCc1ccc(cc1)C(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 C21H23ClN4O MW 382.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O/c1-13(2)17-8-6-16(7-9-17)12-23-21(27)20-15(4)26(25-24-20)18-10-5-14(3)19(22)11-18/h5-11,13H,12H2,1-4H3,(H,23,27)InChIKey
YHDFBUWEWBWHJX-UHFFFAOYSA-NSynonyms
1(3chloro4methylphenyl)5methylN((4propan2ylphenyl)methyl)triazole4carboxamide
1(3chloro4methylphenyl)5methylN(4(propan2yl)benzyl)1H123triazole4carboxamide
CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=C(C=C3)C(C)C)C)Cl
InChI=1SC21H23ClN4Oc113(2)178616(7917)122321(27)2015(4)26(252420)1810514(3)19(22)1118h51113H12H214H3(H2327)
MFCD18183491
ZINC000051317778
ZINC51317778
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