Vitas-M small molecule compound
2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-1-(7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl)ethanone
Catalog ID
STL482655
SMILES O=C(C1COc2c(O1)cccc2)N1CCN(CC1)CC(=O)N1c2cc3OCCOc3cc2C(=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 C29H33N3O6 MW 519.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O6/c1-19-16-29(2,3)32(21-15-25-24(14-20(19)21)35-12-13-36-25)27(33)17-30-8-10-31(11-9-30)28(34)26-18-37-22-6-4-5-7-23(22)38-26/h4-7,14-16,26H,8-13,17-18H2,1-3H3InChIKey
HFJBJRCXRNPLBO-UHFFFAOYSA-NSynonyms
2(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)1(779trimethyl23dihydro(14)dioxino(23g)quinolin6(7H)yl)ethanone
2(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)1(779trimethyl23dihydro(14)dioxino(23g)quinolin6yl)ethanone
CC1=CC(N(C2=CC3=C(C=C12)OCCO3)C(=O)CN4CCN(CC4)C(=O)C5COC6=CC=CC=C6O5)(C)C
InChI=1SC29H33N3O6c1191629(23)32(21152524(1420(19)21)3512133625)27(33)173081031(11930)28(34)26183722645723(22)3826h47141626H8131718H213H3
MFCD30713360
ZINC000334160551
ZINC000334160552
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