Vitas-M small molecule compound
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL100606
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccccc1)Cc1ccccc1
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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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c30-24(26-19-11-12-21-22(16-19)32-14-13-31-21)17-33-25-28-27-23(15-18-7-3-1-4-8-18)29(25)20-9-5-2-6-10-20/h1-12,16H,13-15,17H2,(H,26,30)InChIKey
ZJIMRWMWAVYABN-UHFFFAOYSA-NSynonyms
2((5BENZYL4PHENYL124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
2((5benzyl4phenyl4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC25H22N4O3Sc3024(261911122122(1619)3214133121)173325282723(15187314818)29(25)2095261020h11216H131517H2(H2630)
MFCD02660185
N(2H3HBENZO(34E)14DIOXIN6YL)2(4PHENYL5BENZYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000000623060
ZINC00623060
ZINC623060
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