Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,3-dihydro-1H-indol-1-yl)ethanone
Catalog ID
STK737457
SMILES O=C(N1CCc2c1cccc2)CSc1nnc(n1C)COc1ccc2c(c1)OCO2
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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-24-19(11-27-15-6-7-17-18(10-15)29-13-28-17)22-23-21(24)30-12-20(26)25-9-8-14-4-2-3-5-16(14)25/h2-7,10H,8-9,11-13H2,1H3InChIKey
AIZYVLKFPSYJCJ-UHFFFAOYSA-NSynonyms
2((5((13benzodioxol5yloxy)methyl)4methyl4H124triazol3yl)sulfanyl)1(23dihydro1Hindol1yl)ethanone
2((5(13BENZODIOXOL5YLOXYMETHYL)4METHYL124TRIAZOL3YL)SULFANYL)1(23DIHYDROINDOL1YL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)COC4=CC5=C(C=C4)OCO5
InChI=1SC21H20N4O4Sc12419(112715671718(1015)29132817)222321(24)301220(26)259814423516(14)25h2710H891113H21H3
MFCD06618695
ZINC000012427804
ZINC12427804
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