Vitas-M small molecule compound
N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-(4-methoxyphenoxy)acetamide
Catalog ID
STK233717
SMILES COc1ccc(cc1)OCC(=O)/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]c2c1cc(Cl)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 C26H27ClN6O3 MW 506.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN6O3/c1-16-12-17(2)31-26(30-16)33-25(32-24(34)15-36-21-7-5-20(35-3)6-8-21)28-11-10-18-14-29-23-9-4-19(27)13-22(18)23/h4-9,12-14,29H,10-11,15H2,1-3H3,(H2,28,30,31,32,33,34)InChIKey
OZEPMRRPRHMCPX-UHFFFAOYSA-NSynonyms
(3E)4((46DIMETHYLPYRIMIDIN2YL)AMINO)4((2(5CHLOROINDOL3YL)ETHYL)AMINO)1(4METHOXYPHENOXY)3AZABUT3EN2ONE
(E)N((2(5CHLORO1HINDOL3YL)ETHYLAMINO)(46DIMETHYLPYRIMIDIN2YLAMINO)METHYLENE)2(4METHOXYPHENOXY)ACETAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)COC4=CC=C(C=C4)OC)C
COc1ccc(cc1)OCC(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cc(Cl)cc2
InChI=1SC26H27ClN6O3c1161217(2)3126(3016)3325(3224(34)1536217520(353)6821)281110181429239419(27)1322(18)23h49121429H101115H213H3(H2283031323334)
MFCD07181083
N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)2(4methoxyphenoxy)acetamide
N(N(2(5CHLORO1HINDOL3YL)ETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)2(4METHOXYPHENOXY)ACETAMIDE
ZINC000018222784
ZINC18222784
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