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-(2,3-dihydro-1H-indol-1-yl)ethanone
Catalog ID
STK279349
SMILES CCn1c(SCC(=O)N2CCc3c2cccc3)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-2-25-21(16-7-8-18-19(13-16)29-12-11-28-18)23-24-22(25)30-14-20(27)26-10-9-15-5-3-4-6-17(15)26/h3-8,13H,2,9-12,14H2,1H3InChIKey
XHUZWQCLXJZHCW-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)1(23dihydroindol1yl)ethanone
2((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(23DIHYDRO1HINDOL1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5
InChI=1SC22H22N4O3Sc122521(16781819(1316)2912112818)232422(25)301420(27)2610915534617(15)26h3813H291214H21H3
MFCD09269787
ZINC000013941870
ZINC13941870
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