Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
Catalog ID
STL415866
SMILES O=C(N1CCOCC1)CSc1nnc(n1c1ccccc1)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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c28-21(26-9-13-29-14-10-26)16-32-23-25-24-22(27(23)18-5-2-1-3-6-18)17-7-8-19-20(15-17)31-12-4-11-30-19/h1-3,5-8,15H,4,9-14,16H2InChIKey
UESHPJDCZYKIDQ-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanyl)1morpholin4ylethanone
2((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)1(morpholin4yl)ethanone
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N5CCOCC5)OC1
InChI=1SC23H24N4O4Sc2821(2691329141026)163223252422(27(23)185213618)17781920(1517)31124113019h135815H491416H2
MFCD27221085
ZINC000064987171
ZINC64987171
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