Vitas-M small molecule compound

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

Catalog ID
STL293911
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccccn1

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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 C19H19N5O3S MW 397.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O3S/c1-3-24-17(15-6-4-5-11-20-15)22-23-19(24)28-12-16(25)21-14-9-7-13(8-10-14)18(26)27-2/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKey
GJDLCOLRKDGOIQ-UHFFFAOYSA-N
Synonyms
578003-94-8
578003948
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=N3
InChI=1SC19H19N5O3Sc132417(15645112015)222319(24)281216(25)21149713(81014)18(26)272h411H312H212H3(H2125)
methyl4((((4ethyl5(pyridin2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4ETHYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4ETHYL5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2((4ETHYL5(PYRIDIN2YL)4H124TRIAZOL3YL)THIO)ACETAMIDO)BENZOATE
METHYL4(2(4ETHYL5(2PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD04023705
ZINC000002369470
ZINC02369470
ZINC2369470

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Available files

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