Vitas-M small molecule compound

N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-2-fluorobenzamide

Catalog ID
STK233709
SMILES COc1ccc2c(c1)c(CCN/C(=N\C(=O)c1ccccc1F)/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 C25H25FN6O2 MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN6O2/c1-15-12-16(2)30-25(29-15)32-24(31-23(33)19-6-4-5-7-21(19)26)27-11-10-17-14-28-22-9-8-18(34-3)13-20(17)22/h4-9,12-14,28H,10-11H2,1-3H3,(H2,27,29,30,31,32,33)
InChIKey
YLLBDXKWYLOVNL-UHFFFAOYSA-N
Synonyms

(2E)3((46DIMETHYLPYRIMIDIN2YL)AMINO)1(2FLUOROPHENYL)3((2(5METHOXYINDOL3YL)ETHYL)AMINO)2AZAPROP2EN1ONE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)OC)NC(=O)C4=CC=CC=C4F)C
COc1ccc2c(c1)c(CCNC(=NC(=O)c1ccccc1F)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC25H25FN6O2c1151216(2)3025(2915)3224(3123(33)19645721(19)26)271110171428229818(343)1320(17)22h49121428H1011H213H3(H2272930313233)
MFCD07181062
N((E)((46dimethylpyrimidin2yl)amino)((2(5methoxy1Hindol3yl)ethyl)amino)methylidene)2fluorobenzamide
N(N(46dimethylpyrimidin2yl)N(2(5methoxy1Hindol3yl)ethyl)carbamimidoyl)2fluorobenzamide
ZINC000014671784
ZINC14671784

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Available files

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