Vitas-M small molecule compound

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

Catalog ID
STK211127
SMILES Clc1ccc2c(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 C24H22ClFN6O MW 464.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClFN6O/c1-14-11-15(2)30-24(29-14)32-23(31-22(33)18-5-3-4-6-20(18)26)27-10-9-16-13-28-21-8-7-17(25)12-19(16)21/h3-8,11-13,28H,9-10H2,1-2H3,(H2,27,29,30,31,32,33)
InChIKey
YSOHMNXBHMSZLA-UHFFFAOYSA-N
Synonyms

(2E)3((46DIMETHYLPYRIMIDIN2YL)AMINO)3((2(5CHLOROINDOL3YL)ETHYL)AMINO)1(2FLUOROPHENYL)2AZAPROP2EN1ONE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C4=CC=CC=C4F)C
Clc1ccc2c(c1)c(CCNC(=NC(=O)c1ccccc1F)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC24H22ClFN6Oc1141115(2)3024(2914)3223(3122(33)18534620(18)26)27109161328218717(25)1219(16)21h38111328H910H212H3(H2272930313233)
MFCD07157382
N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)2fluorobenzamide
N(2FLUOROBENZOYL)N(2(5CHLORO1HINDOL3YL)ETHYL)N(46DIMETHYL2PYRIMIDINYL)GUANIDINE
N(N(2(5CHLORO1HINDOL3YL)ETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)2FLUOROBENZAMIDE
ZINC000014671545
ZINC14671545

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Available files

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