Vitas-M small molecule compound

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

Catalog ID
STK217873
SMILES COc1ccc(cc1)/C=C/C(=O)/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]c2c1cc(OC)cc2

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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 C28H30N6O3 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O3/c1-18-15-19(2)32-28(31-18)34-27(33-26(35)12-7-20-5-8-22(36-3)9-6-20)29-14-13-21-17-30-25-11-10-23(37-4)16-24(21)25/h5-12,15-17,30H,13-14H2,1-4H3,(H2,29,31,32,33,34,35)/b12-7+
InChIKey
YWYQWDQJHDMYMV-KPKJPENVSA-N
Synonyms

(1E4E)1((46DIMETHYLPYRIMIDIN2YL)AMINO)1((2(5METHOXYINDOL3YL)ETHYL)AMINO)5(4METHOXYPHENYL)2AZAPENTA14DIEN3ONE
(2E)N((E)((46dimethylpyrimidin2yl)amino)((2(5methoxy1Hindol3yl)ethyl)amino)methylidene)3(4methoxyphenyl)prop2enamide
(E)N(N(46dimethylpyrimidin2yl)N(2(5methoxy1Hindol3yl)ethyl)carbamimidoyl)3(4methoxyphenyl)prop2enamide
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)OC)NC(=O)C=CC4=CC=C(C=C4)OC)C
COc1ccc(cc1)C=CC(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cc(OC)cc2
InChI=1SC28H30N6O3c1181519(2)3228(3118)3427(3326(35)127205822(363)9620)29141321173025111023(374)1624(21)25h512151730H1314H214H3(H2293132333435)b127+
MFCD06755193
ZINC000010059718
ZINC10059718

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Available files

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