Vitas-M small molecule compound
N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3,4,5-trimethoxybenzamide
Catalog ID
STK203674
SMILES COc1cc(cc(c1OC)OC)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 C27H29ClN6O4 MW 537.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN6O4/c1-15-10-16(2)32-27(31-15)34-26(29-9-8-17-14-30-21-7-6-19(28)13-20(17)21)33-25(35)18-11-22(36-3)24(38-5)23(12-18)37-4/h6-7,10-14,30H,8-9H2,1-5H3,(H2,29,31,32,33,34,35)InChIKey
HDEPTWFTASWMNV-UHFFFAOYSA-NSynonyms
(2E)3((46DIMETHYLPYRIMIDIN2YL)AMINO)3((2(5CHLOROINDOL3YL)ETHYL)AMINO)1(345TRIMETHOXYPHENYL)2AZAPROP2EN1ONE
(E)N((2(5CHLORO1HINDOL3YL)ETHYLAMINO)(46DIMETHYLPYRIMIDIN2YLAMINO)METHYLENE)345TRIMETHOXYBENZAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C
COc1cc(cc(c1OC)OC)C(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)c2c1cc(Cl)cc2
InChI=1SC27H29ClN6O4c1151016(2)3227(3115)3426(2998171430217619(28)1320(17)21)3325(35)181122(363)24(385)23(1218)374h67101430H89H215H3(H2293132333435)
MFCD06650267
N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)345trimethoxybenzamide
N(N(2(5CHLORO1HINDOL3YL)ETHYL)N(46DIMETHYLPYRIMIDIN2YL)CARBAMIMIDOYL)345TRIMETHOXYBENZAMIDE
ZINC000008758671
ZINC8758671
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