Vitas-M small molecule compound
2,2'-[(2-phenylpyrimidine-4,6-diyl)dibenzene-4,1-diyl]bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione]
Catalog ID
STK078370
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1cc(nc(n1)c1ccccc1)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)c1nc2ccccc2c(=O)o1)c1nc2ccccc2c(=O)o1
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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 C54H28N6O8 MW 888.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C54H28N6O8/c61-49-36-24-18-32(47-57-42-12-6-4-10-38(42)53(65)67-47)26-40(36)51(63)59(49)34-20-14-29(15-21-34)44-28-45(56-46(55-44)31-8-2-1-3-9-31)30-16-22-35(23-17-30)60-50(62)37-25-19-33(27-41(37)52(60)64)48-58-43-13-7-5-11-39(43)54(66)68-48/h1-InChIKey
RRBRRXAAYPTPTF-UHFFFAOYSA-NSynonyms
2(4(6(4(13dioxo5(4oxo31benzoxazin2yl)isoindol2yl)phenyl)2phenylpyrimidin4yl)phenyl)5(4oxo31benzoxazin2yl)isoindole13dione
22((2PHENYLPYRIMIDINE46DIYL)DIBENZENE41DIYL)BIS(5(4OXO4H31BENZOXAZIN2YL)1HISOINDOLE13(2H)DIONE)
C1=CC=C(C=C1)C2=NC(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C6=NC7=CC=CC=C7C(=O)O6)C8=CC=C(C=C8)N9C(=O)C1=C(C9=O)C=C(C=C1)C1=NC2=CC=CC=C2C(=O)O1
InChI=1SC54H28N6O8c614936241832(47574212641038(42)53(65)6747)2640(36)51(63)59(49)34201429(152134)442845(5646(5544)318213931)30162235(231730)6050(62)37251933(2741(37)52(60)64)48584313751139(43)54(66)6848h128H
MFCD00304521
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1cc(nc(n1)c1ccccc1)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)c1nc2ccccc2c(=O)o1)c1nc2ccccc2c(=O)o1
STK078370
ZINC000150415599
ZINC150415599
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