Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL364378
SMILES CCn1c(SCC(=O)N2CCCC2)nnc1c1cc2c(o1)cccc2
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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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-2-22-17(15-11-13-7-3-4-8-14(13)24-15)19-20-18(22)25-12-16(23)21-9-5-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3InChIKey
PUYDMNANATUOEO-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)1pyrrolidin1ylethanone
2((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC4=CC=CC=C4O3
InChI=1SC18H20N4O2Sc122217(151113734814(13)2415)192018(22)251216(23)219561021h347811H25691012H21H3
MFCD09476527
ZINC000008784823
ZINC08784823
ZINC8784823
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