Vitas-M small molecule compound
N-(4-bromo-3-methylphenyl)-1-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129541
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1ccc(c(c1)C)Br)Nc1ccc(c(c1)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 C21H22BrN5O2 MW 456.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2/c1-12-5-6-16(9-13(12)2)23-19(28)11-27-15(4)20(25-26-27)21(29)24-17-7-8-18(22)14(3)10-17/h5-10H,11H2,1-4H3,(H,23,28)(H,24,29)InChIKey
KLAOXBWNNPFEHG-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)Br)C)C)C
InChI=1SC21H22BrN5O2c1125616(913(12)2)2319(28)112715(4)20(252627)21(29)24177818(22)14(3)1017h510H11H214H3(H2328)(H2429)
MFCD20747257
N(4bromo3methylphenyl)1(2((34dimethylphenyl)amino)2oxoethyl)5methyl1H123triazole4carboxamide
N(4bromo3methylphenyl)1(2(34dimethylanilino)2oxoethyl)5methyltriazole4carboxamide
ZINC000067322209
ZINC67322209
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