Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-{[2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STK230982
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)COc1ccccc1C(C)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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-14(2)16-6-4-5-7-17(16)28-11-20-24-25-22(26(20)3)31-12-21(27)23-15-8-9-18-19(10-15)30-13-29-18/h4-10,14H,11-13H2,1-3H3,(H,23,27)InChIKey
JCQUKPFCTAVNGG-UHFFFAOYSA-NSynonyms
CC(C)C1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC22H24N4O4Sc114(2)16645717(16)281120242522(26(20)3)311221(27)2315891819(1015)30132918h41014H1113H213H3(H2327)
MFCD07791774
N(13benzodioxol5yl)2((4methyl5((2(propan2yl)phenoxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(13BENZODIOXOL5YL)2((4METHYL5((2PROPAN2YLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009289958
ZINC09289958
ZINC9289958
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