Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STL406025
SMILES O=C(Nc1ccccc1)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-24-19(14-8-9-16-17(12-14)27-11-5-10-26-16)22-23-20(24)28-13-18(25)21-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,25)InChIKey
DIFUKWDQSRZYNV-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)Nphenylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)Nphenylacetamide
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H20N4O3Sc12419(14891617(1214)27115102616)222320(24)281318(25)21156324715h246912H5101113H21H3(H2125)
MFCD15078907
ZINC000033087487
ZINC33087487
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