Vitas-M small molecule compound
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-fluoro-1H-indol-3-yl)ethyl]amino}methylidene]thiophene-2-carboxamide
Catalog ID
STK356307
SMILES Fc1ccc2c(c1)c(CCN/C(=N\C(=O)c1cccs1)/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 C22H21FN6OS MW 436.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN6OS/c1-13-10-14(2)27-22(26-13)29-21(28-20(30)19-4-3-9-31-19)24-8-7-15-12-25-18-6-5-16(23)11-17(15)18/h3-6,9-12,25H,7-8H2,1-2H3,(H2,24,26,27,28,29,30)InChIKey
KACCGGHJDGVLKT-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)F)NC(=O)C4=CC=CS4)C
Fc1ccc2c(c1)c(CCNC(=NC(=O)c1cccs1)Nc1nc(C)cc(n1)C)c(nH)2
InChI=1SC22H21FN6OSc1131014(2)2722(2613)2921(2820(30)194393119)2487151225186516(23)1117(15)18h3691225H78H212H3(H2242627282930)
MFCD08575887
N((E)((46dimethylpyrimidin2yl)amino)((2(5fluoro1Hindol3yl)ethyl)amino)methylidene)thiophene2carboxamide
N(N(46dimethylpyrimidin2yl)N(2(5fluoro1Hindol3yl)ethyl)carbamimidoyl)thiophene2carboxamide
ZINC000018063822
ZINC18063822
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