Vitas-M small molecule compound

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

Catalog ID
STK356304
SMILES Cc1nc(N/C(=N/C(=O)c2cccc(c2)C)/NCCc2c[nH]c3c2cc(F)cc3)nc(c1)C

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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 C25H25FN6O MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN6O/c1-15-5-4-6-18(11-15)23(33)31-24(32-25-29-16(2)12-17(3)30-25)27-10-9-19-14-28-22-8-7-20(26)13-21(19)22/h4-8,11-14,28H,9-10H2,1-3H3,(H2,27,29,30,31,32,33)
InChIKey
DKAWDHARVPBOJG-UHFFFAOYSA-N
Synonyms

(2E)3((46DIMETHYLPYRIMIDIN2YL)AMINO)3((2(5FLUOROINDOL3YL)ETHYL)AMINO)1(3METHYLPHENYL)2AZAPROP2EN1ONE
CC1=CC=CC(=C1)C(=O)NC(=NCCC2=CNC3=C2C=C(C=C3)F)NC4=NC(=CC(=N4)C)C
Cc1nc(NC(=NC(=O)c2cccc(c2)C)NCCc2c(nH)c3c2cc(F)cc3)nc(c1)C
InChI=1SC25H25FN6Oc11554618(1115)23(33)3124(32252916(2)1217(3)3025)27109191428228720(26)1321(19)22h48111428H910H213H3(H2272930313233)
MFCD08575872
N((E)((46dimethylpyrimidin2yl)amino)((2(5fluoro1Hindol3yl)ethyl)amino)methylidene)3methylbenzamide
N(N(46dimethylpyrimidin2yl)N(2(5fluoro1Hindol3yl)ethyl)carbamimidoyl)3methylbenzamide
ZINC000014730270
ZINC14730270

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.