Vitas-M small molecule compound
1-(3,4-dimethoxyphenyl)-2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK219423
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1C)C(Oc1ccccc1)C
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-14(28-16-8-6-5-7-9-16)20-22-23-21(24(20)2)29-13-17(25)15-10-11-18(26-3)19(12-15)27-4/h5-12,14H,13H2,1-4H3InChIKey
CTFVKOGWVXERKF-UHFFFAOYSA-NSynonyms
1(34DIMETHOXYPHENYL)2((4METHYL5(1PHENOXYETHYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIMETHOXYPHENYL)2((4METHYL5(1PHENOXYETHYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
CC(C1=NN=C(N1C)SCC(=O)C2=CC(=C(C=C2)OC)OC)OC3=CC=CC=C3
InChI=1SC21H23N3O4Sc114(28168657916)20222321(24(20)2)291317(25)15101118(263)19(1215)274h51214H13H214H3
MFCD07401748
ZINC000004814872
ZINC000004814874
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