Vitas-M small molecule compound
N-{[5-({2-[(4-bromo-2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK118968
SMILES O=C(Nc1ccc(c(c1C)C)Br)CSc1nnc(n1C)CNC(=O)c1cccc(c1)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 C22H24BrN5O2S MW 502.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrN5O2S/c1-13-6-5-7-16(10-13)21(30)24-11-19-26-27-22(28(19)4)31-12-20(29)25-18-9-8-17(23)14(2)15(18)3/h5-10H,11-12H2,1-4H3,(H,24,30)(H,25,29)InChIKey
BDNRJLHIWDAOMQ-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C(=C(C=C3)Br)C)C
InChI=1SC22H24BrN5O2Sc11365716(1013)21(30)241119262722(28(19)4)311220(29)25189817(23)14(2)15(18)3h510H1112H214H3(H2430)(H2529)
MFCD04127766
N((5((2((4BROMO23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(4BROMO23DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000001108421
ZINC01108421
ZINC1108421
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