Vitas-M small molecule compound
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-[4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK672908
SMILES COc1cc2nc(oc(=O)c2cc1OC)c1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)c1nc2cc(OC)c(cc2c(=O)o1)OC
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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 C34H23N3O10 MW 633.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H23N3O10/c1-42-25-12-21-23(14-27(25)44-3)35-29(46-33(21)40)16-5-8-18(9-6-16)37-31(38)19-10-7-17(11-20(19)32(37)39)30-36-24-15-28(45-4)26(43-2)13-22(24)34(41)47-30/h5-15H,1-4H3InChIKey
PFHMSXRHUHFZCX-UHFFFAOYSA-NSynonyms
5(67DIMETHOXY4OXO31BENZOXAZIN2YL)2(4(67DIMETHOXY4OXO31BENZOXAZIN2YL)PHENYL)ISOINDOLE13DIONE
5(67dimethoxy4oxo4H31benzoxazin2yl)2(4(67dimethoxy4oxo4H31benzoxazin2yl)phenyl)1Hisoindole13(2H)dione
COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C6=NC7=CC(=C(C=C7C(=O)O6)OC)OC)OC
InChI=1SC34H23N3O10c14225122123(1427(25)443)3529(4633(21)40)165818(9616)3731(38)1910717(1120(19)32(37)39)3036241528(454)26(432)1322(24)34(41)4730h515H14H3
MFCD00826794
ZINC000098002555
ZINC98002555
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