Vitas-M small molecule compound

3-butan-2-yl 6-methyl 4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404832
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)C(C(C2)C)C(=O)OC)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 C26H34N2O5 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O5/c1-8-15(3)33-26(31)21-16(4)27-19-13-14(2)20(25(30)32-7)24(29)23(19)22(21)17-9-11-18(12-10-17)28(5)6/h9-12,14-15,20,22,27H,8,13H2,1-7H3
InChIKey
BCZVEWBCIIAWSG-UHFFFAOYSA-N
Synonyms

3butan2yl6methyl4(4(dimethylamino)phenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl4(4(dimethylamino)phenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC26H34N2O5c1815(3)3326(31)2116(4)27191314(2)20(25(30)327)24(29)23(19)22(21)1791118(121017)28(5)6h9121415202227H813H217H3
MFCD05031566
ZINC000035898282
ZINC000229939473

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Available files

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