Vitas-M small molecule compound

1-oxo-1-phenylbutan-2-yl 2-[4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-6-methylquinoline-4-carboxylate

Catalog ID
STK286937
SMILES CCC(C(=O)c1ccccc1)OC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2CC1

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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 C36H32N2O5 MW 572.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N2O5/c1-3-30(33(39)22-7-5-4-6-8-22)43-36(42)27-19-29(37-28-16-9-20(2)17-26(27)28)21-12-14-25(15-13-21)38-34(40)31-23-10-11-24(18-23)32(31)35(38)41/h4-9,12-17,19,23-24,30-32H,3,10-11,18H2,1-2H3
InChIKey
RIQIWNXEKQQGOY-UHFFFAOYSA-N
Synonyms

1oxo1phenylbutan2yl2(4(13dioxooctahydro2H47methanoisoindol2yl)phenyl)6methylquinoline4carboxylate
CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)N5C(=O)C6C7CCC(C7)C6C5=O
InChI=1SC36H32N2O5c1330(33(39)227546822)4336(42)271929(372816920(2)1726(27)28)21121425(151321)3834(40)3123101124(1823)32(31)35(38)41h4912171923243032H3101118H212H3
MFCD03648833
ZINC000101465245
ZINC000239402957

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Available files

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