Vitas-M small molecule compound
N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
Catalog ID
STK790014
SMILES Clc1ccc2c(c1)c(CCN/C(=N\C(=O)CSc1nccn1C)/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 C23H25ClN8OS MW 497.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN8OS/c1-14-10-15(2)29-22(28-14)31-21(30-20(33)13-34-23-26-8-9-32(23)3)25-7-6-16-12-27-19-5-4-17(24)11-18(16)19/h4-5,8-12,27H,6-7,13H2,1-3H3,(H2,25,28,29,30,31,33)InChIKey
NJEJMZHZXKNGNJ-UHFFFAOYSA-NSynonyms
909377-70-4(E)N(((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylene)2((1methyl1Himidazol2yl)thio)acetamide
909377704
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)CSC4=NC=CN4C)C
Clc1ccc2c(c1)c(CCNC(=NC(=O)CSc1nccn1C)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC23H25ClN8OSc1141015(2)2922(2814)3121(3020(33)133423268932(23)3)2576161227195417(24)1118(16)19h4581227H6713H213H3(H2252829303133)
MFCD08846908
N((E)((2(5chloro1Hindol3yl)ethyl)amino)((46dimethylpyrimidin2yl)amino)methylidene)2((1methyl1Himidazol2yl)sulfanyl)acetamide
N(N(2(5chloro1Hindol3yl)ethyl)N(46dimethylpyrimidin2yl)carbamimidoyl)2(1methylimidazol2yl)sulfanylacetamide
ZINC000018077315
ZINC18077315
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