Vitas-M small molecule compound

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

Catalog ID
STK286871
SMILES Brc1ccc2c(c1)c(cc(n2)c1ccc(cc1)N1C(=O)C2C(C1=O)CC=CC2)C(=O)OCC(=O)c1ccc(cc1)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 C33H25BrN2O5 MW 609.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25BrN2O5/c1-19-6-8-21(9-7-19)30(37)18-41-33(40)27-17-29(35-28-15-12-22(34)16-26(27)28)20-10-13-23(14-11-20)36-31(38)24-4-2-3-5-25(24)32(36)39/h2-3,6-17,24-25H,4-5,18H2,1H3
InChIKey
CYDYPFLACRAYBF-UHFFFAOYSA-N
Synonyms

(2(4METHYLPHENYL)2OXOETHYL)6BROMO2(4(13DIOXO3A477ATETRAHYDROISOINDOL2YL)PHENYL)QUINOLINE4CARBOXYLATE
2(4METHYLPHENYL)2OXOETHYL2(4(13DIOXO(473A7ATETRAHYDROISOINDOL2YL))PHENYL)6BROMOQUINOLINE4CARBOXYLATE
2(4methylphenyl)2oxoethyl6bromo2(4(13dioxo133a477ahexahydro2Hisoindol2yl)phenyl)quinoline4carboxylate
CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6CC=CCC6C5=O
InChI=1SC33H25BrN2O5c1196821(9719)30(37)184133(40)271729(3528151222(34)1626(27)28)20101323(141120)3631(38)24423525(24)32(36)39h236172425H4518H21H3
MFCD03649029
ZINC000100395687
ZINC000100395691

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Available files

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