Vitas-M small molecule compound
dimethyl 2-amino-4-(3-chlorophenyl)-5-oxo-1,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683426
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)Cl)C(=C(N2c1ccccc1)N)C(=O)OC)c1ccccc1
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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 C31H27ClN2O5 MW 543.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN2O5/c1-38-30(36)25-22(18-10-5-3-6-11-18)17-23-26(28(25)35)24(19-12-9-13-20(32)16-19)27(31(37)39-2)29(33)34(23)21-14-7-4-8-15-21/h3-16,22,24-25H,17,33H2,1-2H3InChIKey
SMIBKTSINAPKCD-UHFFFAOYSA-NSynonyms
COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC=C3)N)C(=O)OC)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
dimethyl2amino4(3chlorophenyl)5oxo17diphenyl145678hexahydroquinoline36dicarboxylate
dimethyl2amino4(3chlorophenyl)5oxo17diphenyl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H27ClN2O5c13830(36)2522(18105361118)172326(28(25)35)24(191291320(32)1619)27(31(37)392)29(33)34(23)21147481521h316222425H1733H212H3
MFCD05257816
ZINC000100158158
ZINC000103010664
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