Vitas-M small molecule compound
N,N'-[(2-phenylpyrimidine-4,6-diyl)dibenzene-4,1-diyl]bis[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide]
Catalog ID
STK081397
SMILES COc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)Nc1ccc(cc1)c1cc(nc(n1)c1ccccc1)c1ccc(cc1)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)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 C54H36N6O8 MW 896.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C54H36N6O8/c1-67-40-22-18-38(19-23-40)59-51(63)42-26-12-34(28-44(42)53(59)65)49(61)55-36-14-8-31(9-15-36)46-30-47(58-48(57-46)33-6-4-3-5-7-33)32-10-16-37(17-11-32)56-50(62)35-13-27-43-45(29-35)54(66)60(52(43)64)39-20-24-41(68-2)25-21-39/h3-30H,1-InChIKey
CIJCSJLYOZTCJC-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)N(4(6(4((2(4methoxyphenyl)13dioxoisoindole5carbonyl)amino)phenyl)2phenylpyrimidin4yl)phenyl)13dioxoisoindole5carboxamide
COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC(=NC(=N5)C6=CC=CC=C6)C7=CC=C(C=C7)NC(=O)C8=CC9=C(C=C8)C(=O)N(C9=O)C1=CC=C(C=C1)OC
COc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)Nc1ccc(cc1)c1cc(nc(n1)c1ccccc1)c1ccc(cc1)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)OC
InChI=1SC54H36N6O8c16740221838(192340)5951(63)42261234(2844(42)53(59)65)49(61)553614831(91536)463047(5848(5746)336435733)32101637(171132)5650(62)3513274345(2935)54(66)60(52(43)64)39202441(682)252139h330H12H3(H5561)(H5662)
MFCD00304533
NN((2PHENYLPYRIMIDINE46DIYL)DIBENZENE41DIYL)BIS(2(4METHOXYPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXAMIDE)
STK081397
ZINC000150415662
ZINC150415662
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