Vitas-M small molecule compound
2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STL056630
SMILES Cc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccccc1
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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 C22H19N3O2S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S/c1-16-7-5-10-18(13-16)21-23-24-22(25(21)14-19-11-6-12-27-19)28-15-20(26)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3InChIKey
AJTVPDGSAZNTLZ-UHFFFAOYSA-NSynonyms
861139-20-02((4(FURAN2YLMETHYL)5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((4(furan2ylmethyl)5(3methylphenyl)4H124triazol3yl)sulfanyl)1phenylethanone
2((4(furan2ylmethyl)5(mtolyl)4H124triazol3yl)thio)1phenylethanone
861139200
CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=CC=C4
InChI=1SC22H19N3O2Sc116751018(1316)21232422(25(21)1419116122719)281520(26)178324917h213H1415H21H3
MFCD05683769
ZINC000005429592
ZINC05429592
ZINC5429592
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