Vitas-M small molecule compound
1-(4-bromophenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STL122918
SMILES Brc1ccc(cc1)C(=O)CSc1nnc(n1C)COc1cc(C)cc(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 C20H20BrN3O2S MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2S/c1-13-8-14(2)10-17(9-13)26-11-19-22-23-20(24(19)3)27-12-18(25)15-4-6-16(21)7-5-15/h4-10H,11-12H2,1-3H3InChIKey
TXNYHSXBMRQSNV-UHFFFAOYSA-NSynonyms
1(4BROMOPHENYL)2((5((35DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4bromophenyl)2((5((35dimethylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)ethanone
CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br)C
InChI=1SC20H20BrN3O2Sc113814(2)1017(913)261119222320(24(19)3)271218(25)154616(21)7515h410H1112H213H3
MFCD06628537
ZINC000002881682
ZINC02881682
ZINC2881682
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