Vitas-M small molecule compound
2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-1-(6,6,8-trimethyl[1,3]dioxolo[4,5-g]quinolin-5(6H)-yl)ethanone
Catalog ID
STL482719
SMILES O=C(C1COc2c(O1)cccc2)N1CCN(CC1)CC(=O)N1c2cc3OCOc3cc2C(=CC1(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 C28H31N3O6 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6/c1-18-14-28(2,3)31(20-13-24-23(12-19(18)20)35-17-36-24)26(32)15-29-8-10-30(11-9-29)27(33)25-16-34-21-6-4-5-7-22(21)37-25/h4-7,12-14,25H,8-11,15-17H2,1-3H3InChIKey
DKNUHRJQLWSHBX-UHFFFAOYSA-NSynonyms
2(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)1(668trimethyl(13)dioxolo(45g)quinolin5(6H)yl)ethanone
2(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)1(668trimethyl(13)dioxolo(45g)quinolin5yl)ethanone
CC1=CC(N(C2=CC3=C(C=C12)OCO3)C(=O)CN4CCN(CC4)C(=O)C5COC6=CC=CC=C6O5)(C)C
InChI=1SC28H31N3O6c1181428(23)31(20132423(1219(18)20)35173624)26(32)152981030(11929)27(33)25163421645722(21)3725h47121425H8111517H213H3
MFCD30713423
ZINC000334160416
ZINC000334160417
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