Vitas-M small molecule compound
{4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}(4-chloro-2-methoxyphenyl)methanone
Catalog ID
STL091717
SMILES COc1cc(Cl)ccc1C(=O)N1CCC(CC1)c1onc(n1)c1ccc2c(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 C22H20ClN3O5 MW 441.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O5/c1-28-18-11-15(23)3-4-16(18)22(27)26-8-6-13(7-9-26)21-24-20(25-31-21)14-2-5-17-19(10-14)30-12-29-17/h2-5,10-11,13H,6-9,12H2,1H3InChIKey
ZZBZSZQCCLOVDT-UHFFFAOYSA-NSynonyms
(4(3(13benzodioxol5yl)124oxadiazol5yl)piperidin1yl)(4chloro2methoxyphenyl)methanone
COC1=C(C=CC(=C1)Cl)C(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5
InChI=1SC22H20ClN3O5c128181115(23)3416(18)22(27)268613(7926)212420(253121)14251719(1014)30122917h25101113H6912H21H3
MFCD18786118
ZINC000067205882
ZINC67205882
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