Vitas-M small molecule compound
2-bromo-N-{[5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK267134
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C)nnc1CNC(=O)c1ccccc1Br
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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(13-24-21(29)17-6-4-5-7-18(17)23)25-26-22(27)30-14-19(28)16-10-8-15(2)9-11-16/h3-11H,1,12-14H2,2H3,(H,24,29)InChIKey
JRFUQABYDKZWDI-UHFFFAOYSA-NSynonyms
2BROMON((5((2(4METHYLPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2bromoN((5(2(4methylphenyl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)methyl)benzamide
CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br
InChI=1SC22H21BrN4O2Sc13122720(132421(29)17645718(17)23)252622(27)301419(28)1610815(2)91116h311H11214H22H3(H2429)
MFCD09267783
N(4ALLYL5(2OXO2PTOLYLETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)2BROMOBENZAMIDE
ZINC000009582702
ZINC09582702
ZINC9582702
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