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-(piperidin-1-yl)ethanone
Catalog ID
STL415868
SMILES O=C(N1CCCCC1)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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c29-22(27-12-5-2-6-13-27)17-32-24-26-25-23(28(24)19-8-3-1-4-9-19)18-10-11-20-21(16-18)31-15-7-14-30-20/h1,3-4,8-11,16H,2,5-7,12-15,17H2InChIKey
VEDBSFCOUVOCLY-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanyl)1piperidin1ylethanone
2((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)1(piperidin1yl)ethanone
C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H26N4O3Sc2922(27125261327)173224262523(28(24)198314919)1810112021(1618)31157143020h13481116H257121517H2
MFCD27221084
ZINC000064987170
ZINC64987170
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