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-(2-phenylethyl)acetamide
Catalog ID
STL406053
SMILES O=C(CSc1nnc(n1C)c1ccc2c(c1)OCCCO2)NCCc1ccccc1
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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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-26-21(17-8-9-18-19(14-17)29-13-5-12-28-18)24-25-22(26)30-15-20(27)23-11-10-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,27)InChIKey
GFPDMUOZPOXLLC-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N(2phenylethyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(2phenylethyl)acetamide
CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H24N4O3Sc12621(17891819(1417)29135122818)242522(26)301520(27)231110166324716h246914H5101315H21H3(H2327)
MFCD15078926
ZINC000033087506
ZINC33087506
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