Vitas-M small molecule compound
4-(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Catalog ID
STK777625
SMILES O=C(c1ccc2c(c1)OCCO2)CCCSc1nc2c([nH]1)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 C19H18N2O3S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S/c22-16(13-7-8-17-18(12-13)24-10-9-23-17)6-3-11-25-19-20-14-4-1-2-5-15(14)21-19/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,20,21)InChIKey
KHGQROBXIPLOHN-UHFFFAOYSA-NSynonyms
4(1Hbenzimidazol2ylsulfanyl)1(23dihydro14benzodioxin6yl)butan1one
BUTAN1ONE4(1HBENZOIMIDAZOL2YLSULFANYL)1(23DIHYDROBENZO(14)DIOXIN6YL)
C1COC2=C(O1)C=CC(=C2)C(=O)CCCSC3=NC4=CC=CC=C4N3
InChI=1SC19H18N2O3Sc2216(13781718(1213)241092317)631125192014412515(14)2119h12457812H36911H2(H2021)
MFCD05240210
O=C(c1ccc2c(c1)OCCO2)CCCSc1nc2c((nH)1)cccc2
ZINC000003656647
ZINC03656647
ZINC03868643
ZINC3656647
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