Vitas-M small molecule compound
N-(2-chloro-4-methylphenyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129648
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1ccc(cc1Cl)C)Nc1ccc2c(c1)OCCO2
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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 C21H20ClN5O4 MW 441.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4/c1-12-3-5-16(15(22)9-12)24-21(29)20-13(2)27(26-25-20)11-19(28)23-14-4-6-17-18(10-14)31-8-7-30-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,28)(H,24,29)InChIKey
IJMUIULKZQMTAC-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4)C)Cl
InChI=1SC21H20ClN5O4c1123516(15(22)912)2421(29)2013(2)27(262520)1119(28)2314461718(1014)31873017h36910H7811H212H3(H2328)(H2429)
MFCD20747500
N(2chloro4methylphenyl)1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)5methyl1H123triazole4carboxamide
N(2chloro4methylphenyl)1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)5methyltriazole4carboxamide
ZINC000067322514
ZINC67322514
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