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}-N-(tetrahydrofuran-2-ylmethyl)acetamide
Catalog ID
STL415836
SMILES CCn1c(SCC(=O)NCC2CCCO2)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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-2-24-19(14-6-7-16-17(11-14)28-10-4-9-27-16)22-23-20(24)29-13-18(25)21-12-15-5-3-8-26-15/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H,21,25)InChIKey
OJCJTMFFJKXUHT-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)N(oxolan2ylmethyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)N(tetrahydrofuran2ylmethyl)acetamide
CCN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H26N4O4Sc122419(14671617(1114)2810492716)222320(24)291318(25)2112155382615h671115H258101213H21H3(H2125)
MFCD27221256
ZINC000064987265
ZINC000064987266
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