Vitas-M small molecule compound

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

Catalog ID
STK778258
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc([nH]1)c1ccncc1

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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 C17H15N5O3S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O3S/c1-25-16(24)12-2-4-13(5-3-12)19-14(23)10-26-17-20-15(21-22-17)11-6-8-18-9-7-11/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKey
SNVWERUQXJGYJV-UHFFFAOYSA-N
Synonyms
697239-47-7
4((1OXO2((5PYRIDIN4YL1H124TRIAZOL3YL)THIO)ETHYL)AMINO)BENZOICACIDMETHYLESTER
4((2((5(4PYRIDYL)1H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOICACIDMETHYLESTER
697239477
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc((nH)1)c1ccncc1
InChI=1SC17H15N5O3Sc12516(24)122413(5312)1914(23)1026172015(212217)1168189711h29H10H21H3(H1923)(H202122)
METHYL4((((5(4PYRIDINYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
METHYL4((((5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ETHANOYLAMINO)BENZOATE
MFCD05856234
ZINC000004258697
ZINC04258697
ZINC4258697

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Available files

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