Vitas-M small molecule compound
(2E)-N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3-(4-methoxyphenyl)prop-2-enamide
Catalog ID
STK203676
SMILES COc1ccc(cc1)/C=C/C(=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 C27H27ClN6O2 MW 503.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN6O2/c1-17-14-18(2)32-27(31-17)34-26(33-25(35)11-6-19-4-8-22(36-3)9-5-19)29-13-12-20-16-30-24-10-7-21(28)15-23(20)24/h4-11,14-16,30H,12-13H2,1-3H3,(H2,29,31,32,33,34,35)/b11-6+InChIKey
RHIGKFSUGZCJJR-IZZDOVSWSA-NSynonyms
(1E4E)1((46DIMETHYLPYRIMIDIN2YL)AMINO)1((2(5CHLOROINDOL3YL)ETHYL)AMINO)5(4METHOXYPHENYL)2AZAPENTA14DIEN3ONE
(2E)N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)3(4methoxyphenyl)prop2enamide
(E)N(N(2(5CHLORO1HINDOL3YL)ETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)3(4METHOXYPHENYL)PROP2ENAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C=CC4=CC=C(C=C4)OC)C
COc1ccc(cc1)C=CC(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cc(Cl)cc2
InChI=1SC27H27ClN6O2c1171418(2)3227(3117)3426(3325(35)116194822(363)9519)2913122016302410721(28)1523(20)24h411141630H1213H213H3(H2293132333435)b116+
MFCD06650269
ZINC000008758711
ZINC8758711
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