Vitas-M small molecule compound
N-(2-bromo-4,5-dimethylphenyl)-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STK139726
SMILES O=C(Nc1cc(C)c(cc1Br)C)CSc1nnc(n1C)COc1ccc(cc1)C(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 C23H27BrN4O2S MW 503.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27BrN4O2S/c1-14(2)17-6-8-18(9-7-17)30-12-21-26-27-23(28(21)5)31-13-22(29)25-20-11-16(4)15(3)10-19(20)24/h6-11,14H,12-13H2,1-5H3,(H,25,29)InChIKey
KBTGNSLZTZLNJJ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2C)COC3=CC=C(C=C3)C(C)C
InChI=1SC23H27BrN4O2Sc114(2)176818(9717)301221262723(28(21)5)311322(29)25201116(4)15(3)1019(20)24h61114H1213H215H3(H2529)
MFCD04209577
N(2BROMO45DIMETHYLPHENYL)2((4METHYL5((4(PROPAN2YL)PHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2BROMO45DIMETHYLPHENYL)2((4METHYL5((4PROPAN2YLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001143630
ZINC01143630
ZINC1143630
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