Vitas-M small molecule compound
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STK279337
SMILES CCn1c(SCC(=O)N2CCCC2)nnc1c1ccc2c(c1)OCCO2
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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 C18H22N4O3S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S/c1-2-22-17(13-5-6-14-15(11-13)25-10-9-24-14)19-20-18(22)26-12-16(23)21-7-3-4-8-21/h5-6,11H,2-4,7-10,12H2,1H3InChIKey
OYAGKYJHYZRRJY-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)1pyrrolidin1ylethanone
2((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(PYRROLIDIN1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC4=C(C=C3)OCCO4
InChI=1SC18H22N4O3Sc122217(13561415(1113)251092414)192018(22)261216(23)21734821h5611H2471012H21H3
MFCD09269775
ZINC000009096203
ZINC09096203
ZINC9096203
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