Vitas-M small molecule compound
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL448003
SMILES COc1ccc2c(c1)[nH]cc2CCN/C(=N/C(=O)CSc1nccc(n1)C)/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 C25H28N8O2S MW 504.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N8O2S/c1-15-7-9-27-25(31-15)36-14-22(34)32-23(33-24-29-16(2)11-17(3)30-24)26-10-8-18-13-28-21-12-19(35-4)5-6-20(18)21/h5-7,9,11-13,28H,8,10,14H2,1-4H3,(H2,26,29,30,32,33,34)InChIKey
LKJUPRRMLQGHPR-UHFFFAOYSA-NSynonyms
(E)N((46DIMETHYLPYRIMIDIN2YLAMINO)(2(6METHOXY1HINDOL3YL)ETHYLAMINO)METHYLENE)2(4METHYLPYRIMIDIN2YLTHIO)ACETAMIDE
CC1=NC(=NC=C1)SCC(=O)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC4=NC(=CC(=N4)C)C
COc1ccc2c(c1)(nH)cc2CCNC(=NC(=O)CSc1nccc(n1)C)Nc1nc(C)cc(n1)C
InChI=1SC25H28N8O2Sc115792725(3115)361422(34)3223(33242916(2)1117(3)3024)26108181328211219(354)5620(18)21h579111328H81014H214H3(H2262930323334)
MFCD30712955
N((Z)((46dimethylpyrimidin2yl)amino)((2(6methoxy1Hindol3yl)ethyl)amino)methylidene)2((4methylpyrimidin2yl)sulfanyl)acetamide
N(N(46DIMETHYLPYRIMIDIN2YL)N(2(6METHOXY1HINDOL3YL)ETHYL)CARBAMIMIDOYL)2(4METHYLPYRIMIDIN2YL)SULFANYLACETAMIDE
ZINC000008758600
ZINC8758600
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.