Vitas-M small molecule compound

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

Catalog ID
STK203695
SMILES COc1cc(OC)cc(c1)C(=O)/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]c2c1cccc2

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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 C26H28N6O3 MW 472.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O3/c1-16-11-17(2)30-26(29-16)32-25(27-10-9-18-15-28-23-8-6-5-7-22(18)23)31-24(33)19-12-20(34-3)14-21(13-19)35-4/h5-8,11-15,28H,9-10H2,1-4H3,(H2,27,29,30,31,32,33)
InChIKey
ZQHPVGUCCGYOQC-UHFFFAOYSA-N
Synonyms
827008-63-9
(2E)1(35DIMETHOXYPHENYL)3((46DIMETHYLPYRIMIDIN2YL)AMINO)3((2INDOL3YLETHYL)AMINO)2AZAPROP2EN1ONE
(E)N(((2(1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylene)35dimethoxybenzamide
(E)N((2(1HINDOL3YL)ETHYLAMINO)(46DIMETHYLPYRIMIDIN2YLAMINO)METHYLENE)35DIMETHOXYBENZAMIDE
827008639
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC(=CC(=C4)OC)OC)C
COc1cc(OC)cc(c1)C(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cccc2
InChI=1SC26H28N6O3c1161117(2)3026(2916)3225(2710918152823865722(18)23)3124(33)191220(343)1421(1319)354h58111528H910H214H3(H2272930313233)
MFCD06241105
N((E)((46dimethylpyrimidin2yl)amino)((2(1Hindol3yl)ethyl)amino)methylidene)35dimethoxybenzamide
N(N(46DIMETHYLPYRIMIDIN2YL)N(2(1HINDOL3YL)ETHYL)CARBAMIMIDOYL)35DIMETHOXYBENZAMIDE
ZINC000009971307
ZINC9971307

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Available files

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