Vitas-M small molecule compound
(4-butyl-2-methyl-1,3-thiazol-5-yl)[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]methanone
Catalog ID
STL407701
SMILES CCCCc1nc(sc1C(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)C
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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 C22H27N3O4S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4S/c1-3-4-7-16-20(30-15(2)23-16)22(27)25-12-10-24(11-13-25)21(26)19-14-28-17-8-5-6-9-18(17)29-19/h5-6,8-9,19H,3-4,7,10-14H2,1-2H3InChIKey
BITNUNGWTMWCMS-UHFFFAOYSA-NSynonyms
1574363-96-4(4(4butyl2methyl13thiazole5carbonyl)piperazin1yl)(23dihydro14benzodioxin3yl)methanone
(4butyl2methyl13thiazol5yl)(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)methanone
(4butyl2methylthiazol5yl)(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)methanone
1574363964
CCCCC1=C(SC(=N1)C)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3
InChI=1SC22H27N3O4Sc13471620(3015(2)2316)22(27)25121024(111325)21(26)19142817856918(17)2919h568919H3471014H212H3
MFCD28058986
ZINC000096231817
ZINC000096231818
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