Vitas-M small molecule compound
2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)ethanone
Catalog ID
STL436304
SMILES COc1ccc2c(c1)C(=CC(N2C(=O)CN1CCN(CC1)C(=O)C1COc2c(O1)cccc2)(C)C)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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-19-16-28(2,3)31(22-10-9-20(34-4)15-21(19)22)26(32)17-29-11-13-30(14-12-29)27(33)25-18-35-23-7-5-6-8-24(23)36-25/h5-10,15-16,25H,11-14,17-18H2,1-4H3InChIKey
RDHIOUTYEFKTEM-UHFFFAOYSA-NSynonyms
2(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)1(6methoxy224trimethylquinolin1(2H)yl)ethanone
2(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)1(6methoxy224trimethylquinolin1yl)ethanone
CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)(C)C
InChI=1SC28H33N3O5c1191628(23)31(2210920(344)1521(19)22)26(32)1729111330(141229)27(33)25183523756824(23)3625h510151625H11141718H214H3
MFCD30711942
ZINC000226075159
ZINC000226075167
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