Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-1-[(6-oxo-3-phenyl-1,6-dihydropyridazin-4-yl)amino]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK783753
SMILES O=C1CC(c2ccc3c(c2)OCO3)C2=C(N1Nc1cc(=O)[nH]nc1c1ccccc1)CCCC2=O
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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 C26H22N4O5 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O5/c31-20-8-4-7-19-25(20)17(16-9-10-21-22(11-16)35-14-34-21)12-24(33)30(19)29-18-13-23(32)27-28-26(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,13,17H,4,7-8,12,14H2,(H2,27,29,32)InChIKey
OTWQXQZIBFTTHS-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)1((6oxo3phenyl16dihydropyridazin4yl)amino)4678tetrahydroquinoline25(1H3H)dione
4(13benzodioxol5yl)1((6oxo3phenyl1Hpyridazin4yl)amino)4678tetrahydro3Hquinoline25dione
C1CC2=C(C(CC(=O)N2NC3=CC(=O)NN=C3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)C(=O)C1
InChI=1SC26H22N4O5c31208471925(20)17(169102122(1116)35143421)1224(33)30(19)29181323(32)272826(18)155213615h13569111317H4781214H2(H2272932)
MFCD06618907
O=C1CC(c2ccc3c(c2)OCO3)C2=C(N1Nc1cc(=O)(nH)nc1c1ccccc1)CCCC2=O
ZINC000012376898
ZINC000012376899
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