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-(propan-2-yl)acetamide
Catalog ID
STL406124
SMILES CCn1c(SCC(=O)NC(C)C)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 C18H24N4O3S MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O3S/c1-4-22-17(20-21-18(22)26-11-16(23)19-12(2)3)13-6-7-14-15(10-13)25-9-5-8-24-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,23)InChIKey
ULDZVJDEKQXTKF-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)Npropan2ylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)N(propan2yl)acetamide
CCN1C(=NN=C1SCC(=O)NC(C)C)C2=CC3=C(C=C2)OCCCO3
InChI=1SC18H24N4O3Sc142217(202118(22)261116(23)1912(2)3)13671415(1013)259582414h671012H458911H213H3(H1923)
MFCD15078936
ZINC000033087513
ZINC33087513
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