Vitas-M small molecule compound

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

Catalog ID
STK585917
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1c1cccc2c1cccc2)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 C25H18N4O4S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O4S/c30-22(26-18-12-10-17(11-13-18)24(31)32)15-34-25-28-27-23(21-9-4-14-33-21)29(25)20-8-3-6-16-5-1-2-7-19(16)20/h1-14H,15H2,(H,26,30)(H,31,32)
InChIKey
FMSWVCVSDMFNFC-UHFFFAOYSA-N
Synonyms
836664-19-8
4((((5(furan2yl)4(naphthalen1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
4((2((5(FURAN2YL)4NAPHTHALEN1YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4(2((5(furan2yl)4(naphthalen1yl)4H124triazol3yl)thio)acetamido)benzoicacid
836664198
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=CO5
InChI=1SC25H18N4O4Sc3022(2618121017(111318)24(31)32)153425282723(2194143321)29(25)2083616512719(16)20h114H15H2(H2630)(H3132)
MFCD06605286
ZINC000009233156
ZINC9233156

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Available files

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