Vitas-M small molecule compound
1,3-dioxo-N-{3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-[3-({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}carbamoyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK066801
SMILES O=C1N(c2cccc(c2)C(=O)Nc2cccc(c2)/C=C/C(=O)c2ccccc2)C(=O)c2c1ccc(c2)C(=O)Nc1cccc(c1)/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(32-12-3-1-4-13-32)24-20-30-10-7-17-36(26-30)47-43(52)34-16-9-19-38(28-34)49-45(54)39-23-22-35(29-40(39)46(49)55)44(53)48-37-18-8-11-31(27-37)21-25-42(51)33-14-5-2-6-15-33/h1-29H,(H,47,52)(H,48,53)/b24-20+,25-21+InChIKey
HPCVTWXCASIGGF-CTWPWMDCSA-NSynonyms
13DIOXON(3((1E)3OXO3PHENYLPROP1EN1YL)PHENYL)2(3((3((1E)3OXO3PHENYLPROP1EN1YL)PHENYL)CARBAMOYL)PHENYL)23DIHYDRO1HISOINDOLE5CARBOXAMIDE
13DIOXON(3((E)3OXO3PHENYLPROP1ENYL)PHENYL)2(3((3((E)3OXO3PHENYLPROP1ENYL)PHENYL)CARBAMOYL)PHENYL)ISOINDOLE5CARBOXAMIDE
C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)NC6=CC=CC(=C6)C=CC(=O)C7=CC=CC=C7
InChI=1SC46H31N3O6c5041(32123141332)2420301071736(2630)4743(52)341691938(2834)4945(54)39232235(2940(39)46(49)55)44(53)48371881131(2737)212542(51)33145261533h129H(H4752)(H4853)b2420+2521+
MFCD00304591
O=C1N(c2cccc(c2)C(=O)Nc2cccc(c2)C=CC(=O)c2ccccc2)C(=O)c2c1ccc(c2)C(=O)Nc1cccc(c1)C=CC(=O)c1ccccc1
STK066801
ZINC000097958872
ZINC97958872
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