Vitas-M small molecule compound

propan-2-yl 7-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK068254
SMILES CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC(C)C)CC

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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 C30H35ClN2O3 MW 507.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35ClN2O3/c1-6-33(7-2)24-14-10-21(11-15-24)28-27(30(35)36-18(3)4)19(5)32-25-16-22(17-26(34)29(25)28)20-8-12-23(31)13-9-20/h8-15,18,22,28,32H,6-7,16-17H2,1-5H3
InChIKey
MTNBBLALQPBGQW-UHFFFAOYSA-N
Synonyms

CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC(C)C)CC
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC(C)C)C
InChI=1SC30H35ClN2O3c1633(72)24141021(111524)2827(30(35)3618(3)4)19(5)32251622(1726(34)29(25)28)2081223(31)13920h81518222832H671617H215H3
MFCD01825211
propan2yl7(4chlorophenyl)4(4(diethylamino)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(4(diethylamino)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK068254
ZINC000009554016
ZINC000009554019

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.