Vitas-M small molecule compound
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Catalog ID
STL447990
SMILES COc1ccc2c(c1)[nH]cc2CCN/C(=N\C(=O)CN1C(=O)c2c(C1=O)cccc2)/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 C28H27N7O4 MW 525.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N7O4/c1-16-12-17(2)32-28(31-16)34-27(29-11-10-18-14-30-23-13-19(39-3)8-9-20(18)23)33-24(36)15-35-25(37)21-6-4-5-7-22(21)26(35)38/h4-9,12-14,30H,10-11,15H2,1-3H3,(H2,29,31,32,33,34,36)InChIKey
WFQXXSIHHPWETJ-UHFFFAOYSA-NSynonyms
(E)N((46DIMETHYLPYRIMIDIN2YLAMINO)(2(6METHOXY1HINDOL3YL)ETHYLAMINO)METHYLENE)2(13DIOXOISOINDOLIN2YL)ACETAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C
COc1ccc2c(c1)(nH)cc2CCNC(=NC(=O)CN1C(=O)c2c(C1=O)cccc2)Nc1nc(C)cc(n1)C
InChI=1SC28H27N7O4c1161217(2)3228(3116)3427(291110181430231319(393)8920(18)23)3324(36)153525(37)21645722(21)26(35)38h49121430H101115H213H3(H2293132333436)
MFCD07756656
N((E)((46dimethylpyrimidin2yl)amino)((2(6methoxy1Hindol3yl)ethyl)amino)methylidene)2(13dioxo13dihydro2Hisoindol2yl)acetamide
N(N(46DIMETHYLPYRIMIDIN2YL)N(2(6METHOXY1HINDOL3YL)ETHYL)CARBAMIMIDOYL)2(13DIOXOISOINDOL2YL)ACETAMIDE
ZINC000008758521
ZINC8758521
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.