Vitas-M small molecule compound
(2Z)-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-3-(2-methylphenyl)prop-2-enamide
Catalog ID
STL447986
SMILES COc1ccc2c(c1)[nH]cc2CCN/C(=N/C(=O)/C=C\c1ccccc1C)/Nc1nc(C)cc(n1)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 C28H30N6O2 MW 482.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O2/c1-18-7-5-6-8-21(18)9-12-26(35)33-27(34-28-31-19(2)15-20(3)32-28)29-14-13-22-17-30-25-16-23(36-4)10-11-24(22)25/h5-12,15-17,30H,13-14H2,1-4H3,(H2,29,31,32,33,34,35)/b12-9-InChIKey
JESBVMGUJTYISE-XFXZXTDPSA-NSynonyms
(2Z)N((Z)((46dimethylpyrimidin2yl)amino)((2(6methoxy1Hindol3yl)ethyl)amino)methylidene)3(2methylphenyl)prop2enamide
(Z)N(N(46dimethylpyrimidin2yl)N(2(6methoxy1Hindol3yl)ethyl)carbamimidoyl)3(2methylphenyl)prop2enamide
CC1=CC=CC=C1C=CC(=O)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC4=NC(=CC(=N4)C)C
COc1ccc2c(c1)(nH)cc2CCNC(=NC(=O)C=Cc1ccccc1C)Nc1nc(C)cc(n1)C
InChI=1SC28H30N6O2c118756821(18)91226(35)3327(34283119(2)1520(3)3228)291413221730251623(364)101124(22)25h512151730H1314H214H3(H2293132333435)b129
MFCD30712940
ZINC000101381777
ZINC101381777
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