Vitas-M small molecule compound

2-bromo-N-{4-[4-methyl-5-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide

Catalog ID
STK147466
SMILES O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1C)c1ccc(cc1)NC(=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 C27H26BrN5O2S MW 564.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN5O2S/c1-16-13-17(2)24(18(3)14-16)30-23(34)15-36-27-32-31-25(33(27)4)19-9-11-20(12-10-19)29-26(35)21-7-5-6-8-22(21)28/h5-14H,15H2,1-4H3,(H,29,35)(H,30,34)
InChIKey
HENZIWXKUKGZBJ-UHFFFAOYSA-N
Synonyms

2BROMON(4(4METHYL5((2OXO2((246TRIMETHYLPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2BROMON(4(4METHYL5(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)PHENYL)BENZAMIDE
2BROMON(4(5((2(MESITYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)BENZAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Br)C
InChI=1SC27H26BrN5O2Sc1161317(2)24(18(3)1416)3023(34)153627323125(33(27)4)1991120(121019)2926(35)21756822(21)28h514H15H214H3(H2935)(H3034)
MFCD04153215
ZINC000000624595
ZINC00624595
ZINC624595

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Available files

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