Vitas-M small molecule compound
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-imidazol-4-yl)ethyl]amino}methylidene]-3-methoxybenzamide
Catalog ID
STL444811
SMILES COc1cccc(c1)C(=O)/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]cn1
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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 C20H23N7O2 MW 393.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O2/c1-13-9-14(2)25-20(24-13)27-19(22-8-7-16-11-21-12-23-16)26-18(28)15-5-4-6-17(10-15)29-3/h4-6,9-12H,7-8H2,1-3H3,(H,21,23)(H2,22,24,25,26,27,28)InChIKey
HBYNEXJXOJSEOX-UHFFFAOYSA-NSynonyms
(E)N((2(1HIMIDAZOL4YL)ETHYLAMINO)(46DIMETHYLPYRIMIDIN2YLAMINO)METHYLENE)3METHOXYBENZAMIDE
CC1=CC(=NC(=N1)NC(=NCCC2=CN=CN2)NC(=O)C3=CC(=CC=C3)OC)C
COc1cccc(c1)C(=O)N=C(Nc1nc(C)cc(n1)C)NCCc1c(nH)cn1
InChI=1SC20H23N7O2c113914(2)2520(2413)2719(2287161121122316)2618(28)1554617(1015)293h46912H78H213H3(H2123)(H2222425262728)
MFCD07469331
N((E)((46dimethylpyrimidin2yl)amino)((2(1Himidazol4yl)ethyl)amino)methylidene)3methoxybenzamide
N(N(46dimethylpyrimidin2yl)N(2(1Himidazol5yl)ethyl)carbamimidoyl)3methoxybenzamide
ZINC000004818556
ZINC4818556
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