Vitas-M small molecule compound

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

Catalog ID
STK186947
SMILES COC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccco1

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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 C19H19N5O5S MW 429.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O5S/c1-24-15(10-20-17(26)14-7-4-8-29-14)22-23-19(24)30-11-16(25)21-13-6-3-5-12(9-13)18(27)28-2/h3-9H,10-11H2,1-2H3,(H,20,26)(H,21,25)
InChIKey
JNMLPIAWCYODNN-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CNC(=O)C3=CC=CO3
InChI=1SC19H19N5O5Sc12415(102017(26)147482914)222319(24)301116(25)211363512(913)18(27)282h39H1011H212H3(H2026)(H2125)
METHYL3((((5(((FURAN2YLCARBONYL)AMINO)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3((2((5((FURAN2CARBONYLAMINO)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06005696
ZINC000002875377
ZINC02875377
ZINC2875377

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Available files

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