Vitas-M small molecule compound
4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK407109
SMILES O=C1NC2=C(C(C1)c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccc(cc1)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 C23H20BrNO4 MW 454.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrNO4/c1-12-2-4-13(5-3-12)14-6-18-23(19(26)7-14)16(9-22(27)25-18)15-8-20-21(10-17(15)24)29-11-28-20/h2-5,8,10,14,16H,6-7,9,11H2,1H3,(H,25,27)InChIKey
BCTCEEIIDVGXRT-UHFFFAOYSA-NSynonyms
4(6bromo13benzodioxol5yl)7(4methylphenyl)134678hexahydroquinoline25dione
4(6bromo13benzodioxol5yl)7(4methylphenyl)4678tetrahydroquinoline25(1H3H)dione
CC1=CC=C(C=C1)C2CC3=C(C(CC(=O)N3)C4=CC5=C(C=C4Br)OCO5)C(=O)C2
InChI=1SC23H20BrNO4c1122413(5312)1461823(19(26)714)16(922(27)2518)1582021(1017(15)24)29112820h258101416H67911H21H3(H2527)
MFCD06627644
ZINC000016426507
ZINC000016426516
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