Vitas-M small molecule compound
2-phenylethyl 4-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL170512
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)c1cc3OCOc3cc1Br)C(=O)CCC2)OCCc1ccccc1
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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 C32H28BrNO5 MW 586.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28BrNO5/c1-19-29(32(36)37-15-14-20-6-3-2-4-7-20)30(31-25(34-19)8-5-9-26(31)35)22-12-10-21(11-13-22)23-16-27-28(17-24(23)33)39-18-38-27/h2-4,6-7,10-13,16-17,30,34H,5,8-9,14-15,18H2,1H3InChIKey
QMOWQGFMLPTJSV-UHFFFAOYSA-NSynonyms
328261-35-42phenylethyl4(4(6bromo13benzodioxol5yl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4(6bromo13benzodioxol5yl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
328261354
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OCCC6=CC=CC=C6
InChI=1SC32H28BrNO5c11929(32(36)371514206324720)30(3125(3419)85926(31)35)22121021(111322)23162728(1724(23)33)39183827h2467101316173034H589141518H21H3
MFCD01447664
ZINC000002738870
ZINC000002738871
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