Vitas-M small molecule compound

1-(4-methylphenyl)-1-oxopropan-2-yl 6-bromo-2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]quinoline-4-carboxylate

Catalog ID
STK286872
SMILES Brc1ccc2c(c1)c(cc(n2)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1)C(=O)OC(C(=O)c1ccc(cc1)C)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 C35H27BrN2O5 MW 635.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27BrN2O5/c1-18-3-5-21(6-4-18)32(39)19(2)43-35(42)27-17-29(37-28-14-11-24(36)16-26(27)28)20-9-12-25(13-10-20)38-33(40)30-22-7-8-23(15-22)31(30)34(38)41/h3-14,16-17,19,22-23,30-31H,15H2,1-2H3
InChIKey
XUTHLJUNZFEYLJ-UHFFFAOYSA-N
Synonyms

1(4methylphenyl)1oxopropan2yl6bromo2(4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)phenyl)quinoline4carboxylate
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6C7CC(C6C5=O)C=C7
InChI=1SC35H27BrN2O5c1183521(6418)32(39)19(2)4335(42)271729(3728141124(36)1626(27)28)2091225(131020)3833(40)30227823(1522)31(30)34(38)41h31416171922233031H15H212H3
MFCD03649030
ZINC000150397633
ZINC000239247989

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Available files

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