Vitas-M small molecule compound
2-bromo-N-{1-[4-ethyl-5-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK131026
SMILES CCn1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1C(NC(=O)c1ccccc1Br)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 C24H28BrN5O2S MW 530.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrN5O2S/c1-6-30-22(17(5)26-23(32)18-9-7-8-10-19(18)25)28-29-24(30)33-13-20(31)27-21-15(3)11-14(2)12-16(21)4/h7-12,17H,6,13H2,1-5H3,(H,26,32)(H,27,31)InChIKey
YLGPQWZSHKFMQP-UHFFFAOYSA-NSynonyms
2BROMON(1(4ETHYL5((2OXO2((246TRIMETHYLPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2BROMON(1(4ETHYL5(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C(C)NC(=O)C3=CC=CC=C3Br
InChI=1SC24H28BrN5O2Sc163022(17(5)2623(32)189781019(18)25)282924(30)331320(31)272115(3)1114(2)1216(21)4h71217H613H215H3(H2632)(H2731)
MFCD06662662
ZINC000097995235
ZINC000097995236
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