Vitas-M small molecule compound

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

Catalog ID
STL040730
SMILES Cc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc(c(c1)O)O

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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 C22H19N3O4S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S/c1-14-4-2-5-16(10-14)21-23-24-22(25(21)12-17-6-3-9-29-17)30-13-20(28)15-7-8-18(26)19(27)11-15/h2-11,26-27H,12-13H2,1H3
InChIKey
HRHYRNXSIAWLSW-UHFFFAOYSA-N
Synonyms
714934-56-2
1(34DIHYDROXYPHENYL)2((4(FURAN2YLMETHYL)5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2((4(FURAN2YLMETHYL)5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(34DIHYDROXYPHENYL)2((4(FURAN2YLMETHYL)5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(34dihydroxyphenyl)2((4(furan2ylmethyl)5(mtolyl)4H124triazol3yl)thio)ethanone
1(34DIHYDROXYPHENYL)2(4(2FURYLMETHYL)5(3METHYLPHENYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
714934562
CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC(=C(C=C4)O)O
InChI=1SC22H19N3O4Sc11442516(1014)21232422(25(21)12176392917)301320(28)157818(26)19(27)1115h2112627H1213H21H3
MFCD05683802
ZINC000001274634
ZINC01274634
ZINC1274634

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Available files

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