Vitas-M small molecule compound
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Catalog ID
STK233714
SMILES COc1ccc2c(c1)c(CCN/C(=N\C(=O)CN1C(=O)c3c(C1=O)cccc3)/Nc1nc(C)cc(n1)C)c[nH]2
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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 C28H27N7O4 MW 525.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N7O4/c1-16-12-17(2)32-28(31-16)34-27(29-11-10-18-14-30-23-9-8-19(39-3)13-22(18)23)33-24(36)15-35-25(37)20-6-4-5-7-21(20)26(35)38/h4-9,12-14,30H,10-11,15H2,1-3H3,(H2,29,31,32,33,34,36)InChIKey
OUZUHTWRRGXJEE-UHFFFAOYSA-NSynonyms
2((3E)4((46DIMETHYLPYRIMIDIN2YL)AMINO)4((2(5METHOXYINDOL3YL)ETHYL)AMINO)2OXO3AZABUT3ENYL)BENZO(C)AZOLINE13DIONE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)OC)NC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C
COc1ccc2c(c1)c(CCNC(=NC(=O)CN1C(=O)c3c(C1=O)cccc3)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC28H27N7O4c1161217(2)3228(3116)3427(291110181430239819(393)1322(18)23)3324(36)153525(37)20645721(20)26(35)38h49121430H101115H213H3(H2293132333436)
MFCD07181073
N((E)((46dimethylpyrimidin2yl)amino)((2(5methoxy1Hindol3yl)ethyl)amino)methylidene)2(13dioxo13dihydro2Hisoindol2yl)acetamide
N(N(46dimethylpyrimidin2yl)N(2(5methoxy1Hindol3yl)ethyl)carbamimidoyl)2(13dioxoisoindol2yl)acetamide
ZINC000009427276
ZINC09427276
ZINC9427276
Check stock
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Check stock on Vitas-MAvailable files
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