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-(4-methoxybenzyl)acetamide
Catalog ID
STL406015
SMILES COc1ccc(cc1)CNC(=O)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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-26-21(16-6-9-18-19(12-16)30-11-3-10-29-18)24-25-22(26)31-14-20(27)23-13-15-4-7-17(28-2)8-5-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,23,27)InChIKey
ILFVWFIPWSSTAQ-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N((4methoxyphenyl)methyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(4methoxybenzyl)acetamide
CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H24N4O4Sc12621(16691819(1216)30113102918)242522(26)311420(27)2313154717(282)8515h4912H310111314H212H3(H2327)
MFCD27221239
ZINC000064987247
ZINC64987247
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