Vitas-M small molecule compound

N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide

Catalog ID
STK203374
SMILES O=C(/N=C(\Nc1nc(C)cc(n1)C)/NCCc1c[nH]c2c1cccc2)CCN1C(=O)c2c(C1=O)cccc2

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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 C28H27N7O3 MW 509.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N7O3/c1-17-15-18(2)32-28(31-17)34-27(29-13-11-19-16-30-23-10-6-5-7-20(19)23)33-24(36)12-14-35-25(37)21-8-3-4-9-22(21)26(35)38/h3-10,15-16,30H,11-14H2,1-2H3,(H2,29,31,32,33,34,36)
InChIKey
UFJPWXQOQZMXCR-UHFFFAOYSA-N
Synonyms

2((4Z)5((46DIMETHYLPYRIMIDIN2YL)AMINO)5((2INDOL3YLETHYL)AMINO)3OXO4AZAPENT4ENYL)BENZO(C)AZOLINE13DIONE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O)C
InChI=1SC28H27N7O3c1171518(2)3228(3117)3427(291311191630231065720(19)23)3324(36)12143525(37)21834922(21)26(35)38h310151630H1114H212H3(H2293132333436)
MFCD06650238
N((Z)((46DIMETHYLPYRIMIDIN2YL)AMINO)((2(1HINDOL3YL)ETHYL)AMINO)METHYLIDENE)3(13DIOXO13DIHYDRO2HISOINDOL2YL)PROPANAMIDE
N(N(46DIMETHYLPYRIMIDIN2YL)N(2(1HINDOL3YL)ETHYL)CARBAMIMIDOYL)3(13DIOXO13DIHYDRO2HISOINDOL2YL)PROPANAMIDE
N(N(46DIMETHYLPYRIMIDIN2YL)N(2(1HINDOL3YL)ETHYL)CARBAMIMIDOYL)3(13DIOXOISOINDOL2YL)PROPANAMIDE
O=C(N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cccc2)CCN1C(=O)c2c(C1=O)cccc2
ZINC000002430605
ZINC2430605

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Available files

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