Vitas-M small molecule compound
2-{[4-ethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK807316
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1CC)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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-5-24-20(15-11-17(26-2)19(28-4)18(12-15)27-3)22-23-21(24)29-13-16(25)14-9-7-6-8-10-14/h6-12H,5,13H2,1-4H3InChIKey
NSNPFJRJBFIWDA-UHFFFAOYSA-NSynonyms
2((4ETHYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((4ethyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)1phenylethanone
2(4ETHYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC
InChI=1SC21H23N3O4Sc152420(151117(262)19(284)18(1215)273)222321(24)291316(25)1497681014h612H513H214H3
MFCD03847805
ZINC000000935564
ZINC00935564
ZINC935564
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