Vitas-M small molecule compound
N-(4-bromo-2,6-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK114553
SMILES CCn1c(SCC(=O)Nc2c(C)cc(cc2C)Br)nnc1COc1ccccc1
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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 C21H23BrN4O2S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O2S/c1-4-26-18(12-28-17-8-6-5-7-9-17)24-25-21(26)29-13-19(27)23-20-14(2)10-16(22)11-15(20)3/h5-11H,4,12-13H2,1-3H3,(H,23,27)InChIKey
KIBMTZLSVLXXOS-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)Br)C)COC3=CC=CC=C3
InChI=1SC21H23BrN4O2Sc142618(1228178657917)242521(26)291319(27)232014(2)1016(22)1115(20)3h511H41213H213H3(H2327)
MFCD04091063
N(4BROMO26DIMETHYLPHENYL)2((4ETHYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO26DIMETHYLPHENYL)2((4ETHYL5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000008400865
ZINC08400865
ZINC8400865
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