Vitas-M small molecule compound

2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone

Catalog ID
STK579367
SMILES COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc2c(c1)cccc2

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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 C26H21N3O3S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O3S/c1-31-22-9-4-8-21(15-22)25-27-28-26(29(25)16-23-10-5-13-32-23)33-17-24(30)20-12-11-18-6-2-3-7-19(18)14-20/h2-15H,16-17H2,1H3
InChIKey
CXALQGQCBMQKRR-UHFFFAOYSA-N
Synonyms
862116-66-3
2((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1NAPHTHALEN2YLETHANONE
2((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(NAPHTHALEN2YL)ETHAN1ONE
2((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)1(naphthalen2yl)ethanone
2((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1NAPHTHALEN2YLETHANONE
2((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)thio)1(naphthalen2yl)ethanone
2(4(2FURYLMETHYL)5(3METHOXYPHENYL)(124TRIAZOL3YLTHIO))1(2NAPHTHYL)ETHAN1ONE
862116663
COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC5=CC=CC=C5C=C4
InChI=1SC26H21N3O3Sc1312294821(1522)25272826(29(25)1623105133223)331724(30)20121118623719(18)1420h215H1617H21H3
MFCD05687094
ZINC000009498373
ZINC09498373
ZINC9498373

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Available files

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