Vitas-M small molecule compound
methyl 2-({[2-(benzylsulfanyl)-5-chloropyrimidin-4-yl]carbonyl}amino)-5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate
Catalog ID
STK909665
SMILES N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1nc(ncc1Cl)SCc1ccccc1)\C
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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 C23H19ClN4O3S2 MW 499.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O3S2/c1-13(9-10-25)19-14(2)17(22(30)31-3)21(33-19)28-20(29)18-16(24)11-26-23(27-18)32-12-15-7-5-4-6-8-15/h4-9,11H,12H2,1-3H3,(H,28,29)/b13-9+InChIKey
CETXZNZTXRDHHS-UKTHLTGXSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3)C(=CC#N)C
InChI=1SC23H19ClN4O3S2c113(91025)1914(2)17(22(30)313)21(3319)2820(29)1816(24)112623(2718)3212157546815h4911H12H213H3(H2829)b139+
methyl2(((2(benzylsulfanyl)5chloropyrimidin4yl)carbonyl)amino)5((1E)1cyanoprop1en2yl)4methylthiophene3carboxylate
methyl2((2benzylsulfanyl5chloropyrimidine4carbonyl)amino)5((E)1cyanoprop1en2yl)4methylthiophene3carboxylate
MFCD06648843
N#CC=C(c1sc(c(c1C)C(=O)OC)NC(=O)c1nc(ncc1Cl)SCc1ccccc1)C
ZINC000008867570
ZINC08867570
ZINC8867570
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