Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STK139953
SMILES O=C(Nc1ccc(cc1F)Br)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 C21H22BrFN4O2S MW 493.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrFN4O2S/c1-13(2)14-4-7-16(8-5-14)29-11-19-25-26-21(27(19)3)30-12-20(28)24-18-9-6-15(22)10-17(18)23/h4-10,13H,11-12H2,1-3H3,(H,24,28)InChIKey
KHKGSOGHQGRXMW-UHFFFAOYSA-NSynonyms
CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F
InChI=1SC21H22BrFN4O2Sc113(2)144716(8514)291119252621(27(19)3)301220(28)24189615(22)1017(18)23h41013H1112H213H3(H2428)
MFCD04151574
N(4BROMO2FLUOROPHENYL)2((4METHYL5((4(PROPAN2YL)PHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2FLUOROPHENYL)2((4METHYL5((4PROPAN2YLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2FLUOROPHENYL)2((5((4ISOPROPYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000000687336
ZINC00687336
ZINC687336
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