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}-1-(morpholin-4-yl)ethanone
Catalog ID
STL415818
SMILES O=C(N1CCOCC1)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 C18H22N4O4S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S/c1-21-17(13-3-4-14-15(11-13)26-8-2-7-25-14)19-20-18(21)27-12-16(23)22-5-9-24-10-6-22/h3-4,11H,2,5-10,12H2,1H3InChIKey
ORCPTVNDMDOQHC-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)1morpholin4ylethanone
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)1(morpholin4yl)ethanone
CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC18H22N4O4Sc12117(13341415(1113)268272514)192018(21)271216(23)22592410622h3411H251012H21H3
MFCD15078908
ZINC000033087488
ZINC33087488
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