Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Catalog ID
STK231023
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1C)c1ccc2c(c1)OCO2)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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-12-4-6-15(26-3)14(8-12)21-18(25)10-29-20-23-22-19(24(20)2)13-5-7-16-17(9-13)28-11-27-16/h4-9H,10-11H2,1-3H3,(H,21,25)InChIKey
NBBSQZLDDWPZIW-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)N(2METHOXY5METHYLPHENYL)ACETAMIDE
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)N(2methoxy5methylphenyl)acetamide
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(C=C3)OCO4
InChI=1SC20H20N4O4Sc1124615(263)14(812)2118(25)102920232219(24(20)2)13571617(913)28112716h49H1011H213H3(H2125)
MFCD07791815
ZINC000004736399
ZINC04736399
ZINC4736399
Check stock
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Check stock on Vitas-MAvailable files
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