Vitas-M small molecule compound
N-{[5-({2-[(4-bromo-2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
Catalog ID
STK143712
SMILES O=C(Nc1c(C)cc(cc1C)Br)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)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/c1-13-5-7-16(8-6-13)21(30)24-11-18-26-27-22(28(18)4)31-12-19(29)25-20-14(2)9-17(23)10-15(20)3/h5-10H,11-12H2,1-4H3,(H,24,30)(H,25,29)InChIKey
QTFWGUUAOOLUBY-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3C)Br)C
InChI=1SC22H24BrN5O2Sc1135716(8613)21(30)241118262722(28(18)4)311219(29)252014(2)917(23)1015(20)3h510H1112H214H3(H2430)(H2529)
MFCD04213076
N((5((2((4BROMO26DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)4METHYLBENZAMIDE
N((5(2(4BROMO26DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)4METHYLBENZAMIDE
ZINC000001111495
ZINC01111495
ZINC1111495
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