Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL406049
SMILES O=C(N1CCCCCC1)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 C20H26N4O3S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3S/c1-23-19(15-7-8-16-17(13-15)27-12-6-11-26-16)21-22-20(23)28-14-18(25)24-9-4-2-3-5-10-24/h7-8,13H,2-6,9-12,14H2,1H3InChIKey
SUAGWCSRPSVXQY-UHFFFAOYSA-NSynonyms
1(azepan1yl)2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)ethanone
1(azepan1yl)2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H26N4O3Sc12319(15781617(1315)27126112616)212220(23)281418(25)24942351024h7813H2691214H21H3
MFCD27221244
ZINC000064987253
ZINC64987253
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