Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL406090
SMILES O=C(N1CCCCCC1)CSc1nnc(n1C1CC1)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 C22H28N4O3S MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3S/c27-20(25-10-3-1-2-4-11-25)15-30-22-24-23-21(26(22)17-7-8-17)16-6-9-18-19(14-16)29-13-5-12-28-18/h6,9,14,17H,1-5,7-8,10-13,15H2InChIKey
RXOXMQGJGJEYGH-UHFFFAOYSA-NSynonyms
1(azepan1yl)2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)ethanone
1(azepan1yl)2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)ethanone
C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC22H28N4O3Sc2720(251031241125)153022242321(26(22)177817)16691819(1416)29135122818h691417H1578101315H2
MFCD27221288
ZINC000064987302
ZINC64987302
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