Vitas-M small molecule compound

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

Catalog ID
STL445490
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)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 C16H14N4O4S MW 358.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4S/c1-23-15(22)10-5-2-3-6-11(10)17-13(21)9-25-16-18-14(19-20-16)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKey
RRVRFDSVDGIGEI-UHFFFAOYSA-N
Synonyms

2(2(5FURAN2YL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=CO3
COC(=O)c1ccccc1NC(=O)CSc1nnc((nH)1)c1ccco1
InChI=1SC16H14N4O4Sc12315(22)10523611(10)1713(21)925161814(192016)127482412h28H9H21H3(H1721)(H181920)
METHYL2((((5(FURAN2YL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2((((5(furan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((5(FURAN2YL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05843041
ZINC000006580304
ZINC06580304
ZINC6580304

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Available files

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