Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}prop-2-enamide
Catalog ID
STK233722
SMILES Clc1ccc2c(c1)c(CCN/C(=N\C(=O)/C=C/c1ccc3c(c1)OCO3)/Nc1nc(C)cc(n1)C)c[nH]2
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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 C27H25ClN6O3 MW 516.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN6O3/c1-16-11-17(2)32-27(31-16)34-26(29-10-9-19-14-30-22-6-5-20(28)13-21(19)22)33-25(35)8-4-18-3-7-23-24(12-18)37-15-36-23/h3-8,11-14,30H,9-10,15H2,1-2H3,(H2,29,31,32,33,34,35)/b8-4+InChIKey
IWFQAHDRKCMQJD-XBXARRHUSA-NSynonyms
(1E4E)5(2HBENZO(34D)13DIOXOLEN5YL)1((46DIMETHYLPYRIMIDIN2YL)AMINO)1((2(5CHLOROINDOL3YL)ETHYL)AMINO)2AZAPENTA14DIEN3ONE
(2E)3(13benzodioxol5yl)N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)prop2enamide
(E)3(13BENZODIOXOL5YL)N(N(2(5CHLORO1HINDOL3YL)ETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)PROP2ENAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C=CC4=CC5=C(C=C4)OCO5)C
Clc1ccc2c(c1)c(CCNC(=NC(=O)C=Cc1ccc3c(c1)OCO3)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC27H25ClN6O3c1161117(2)3227(3116)3426(29109191430226520(28)1321(19)22)3325(35)8418372324(1218)37153623h38111430H91015H212H3(H2293132333435)b84+
MFCD07181091
ZINC000018222788
ZINC18222788
Check stock
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