Vitas-M small molecule compound
1-{2-[(2-chlorophenyl)amino]-2-oxoethyl}-5-methyl-N-(2,4,6-trimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL143036
SMILES O=C(Nc1ccccc1Cl)Cn1nnc(c1C)C(=O)Nc1c(C)cc(cc1C)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 C21H22ClN5O2 MW 411.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O2/c1-12-9-13(2)19(14(3)10-12)24-21(29)20-15(4)27(26-25-20)11-18(28)23-17-8-6-5-7-16(17)22/h5-10H,11H2,1-4H3,(H,23,28)(H,24,29)InChIKey
KNPXNHYHLCHJHD-UHFFFAOYSA-NSynonyms
1(2((2chlorophenyl)amino)2oxoethyl)5methylN(246trimethylphenyl)1H123triazole4carboxamide
1(2(2chloroanilino)2oxoethyl)5methylN(246trimethylphenyl)triazole4carboxamide
CC1=CC(=C(C(=C1)C)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3Cl)C)C
InChI=1SC21H22ClN5O2c112913(2)19(14(3)1012)2421(29)2015(4)27(262520)1118(28)2317865716(17)22h510H11H214H3(H2328)(H2429)
MFCD20747902
ZINC000071327377
ZINC71327377
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