Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL406122
SMILES CCn1c(SCC(=O)N2CCCC2)nnc1c1ccc2c(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 C19H24N4O3S MW 388.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O3S/c1-2-23-18(14-6-7-15-16(12-14)26-11-5-10-25-15)20-21-19(23)27-13-17(24)22-8-3-4-9-22/h6-7,12H,2-5,8-11,13H2,1H3InChIKey
OGWAJAPBNIDGPR-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)1pyrrolidin1ylethanone
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC19H24N4O3Sc122318(14671516(1214)26115102515)202119(23)271317(24)22834922h6712H2581113H21H3
MFCD27220681
ZINC000064986893
ZINC64986893
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