Vitas-M small molecule compound

methyl 4-[({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK005371
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

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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 C23H18BrN5O3S MW 524.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN5O3S/c1-32-22(31)15-4-8-18(9-5-15)26-20(30)14-33-23-28-27-21(16-3-2-12-25-13-16)29(23)19-10-6-17(24)7-11-19/h2-13H,14H2,1H3,(H,26,30)
InChIKey
IXADKDLDWDSSHI-UHFFFAOYSA-N
Synonyms
477329-64-9
477329649
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
InChI=1SC23H18BrN5O3Sc13222(31)154818(9515)2620(30)143323282721(163212251316)29(23)1910617(24)71119h213H14H21H3(H2630)
METHYL4((((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4(4BROMOPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)ACETAMIDO)BENZOATE
METHYL4(2(4(4BROMOPHENYL)5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03224932
STK005371
ZINC000001122311
ZINC01122311
ZINC1122311

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.