Vitas-M small molecule compound
2-[5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
Catalog ID
STK197772
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1CC(=O)Nc1ccccc1C
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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 C22H21BrN4O2S MW 485.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O2S/c1-3-12-27-20(13-21(29)24-18-7-5-4-6-15(18)2)25-26-22(27)30-14-19(28)16-8-10-17(23)11-9-16/h3-11H,1,12-14H2,2H3,(H,24,29)InChIKey
LHWRHMQSDWETNH-UHFFFAOYSA-NSynonyms
2(5((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
2(5(2(4BROMOPHENYL)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)Br
InChI=1SC22H21BrN4O2Sc13122720(1321(29)2418754615(18)2)252622(27)301419(28)1681017(23)11916h311H11214H22H3(H2429)
MFCD06622240
ZINC000002867060
ZINC02867060
ZINC2867060
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