Vitas-M small molecule compound
1,3-dioxo-N-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-[3-({4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}carbamoyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK662546
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1)Nc1ccc(cc1)/C=C/C(=O)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 C46H31N3O6 MW 721.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H31N3O6/c50-41(32-8-3-1-4-9-32)26-18-30-14-21-36(22-15-30)47-43(52)34-12-7-13-38(28-34)49-45(54)39-25-20-35(29-40(39)46(49)55)44(53)48-37-23-16-31(17-24-37)19-27-42(51)33-10-5-2-6-11-33/h1-29H,(H,47,52)(H,48,53)/b26-18+,27-19+InChIKey
VXEVPQYUEAJYRW-BFNWXZRRSA-NSynonyms
13dioxoN(4((1E)3oxo3phenylprop1en1yl)phenyl)2(3((4((1E)3oxo3phenylprop1en1yl)phenyl)carbamoyl)phenyl)23dihydro1Hisoindole5carboxamide
13DIOXON(4((E)3OXO3PHENYLPROP1ENYL)PHENYL)2(3((4((E)3OXO3PHENYLPROP1ENYL)PHENYL)CARBAMOYL)PHENYL)ISOINDOLE5CARBOXAMIDE
C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)NC6=CC=C(C=C6)C=CC(=O)C7=CC=CC=C7
InChI=1SC46H31N3O6c5041(328314932)261830142136(221530)4743(52)341271338(2834)4945(54)39252035(2940(39)46(49)55)44(53)4837231631(172437)192742(51)33105261133h129H(H4752)(H4853)b2618+2719+
MFCD00779613
O=C(c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C=CC(=O)c1ccccc1)Nc1ccc(cc1)C=CC(=O)c1ccccc1
ZINC000097968578
ZINC97968578
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