Vitas-M small molecule compound
methyl 2-({[5-chloro-2-(ethylsulfonyl)pyrimidin-4-yl]carbonyl}amino)-5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate
Catalog ID
STK909659
SMILES N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1nc(ncc1Cl)S(=O)(=O)CC)\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 C18H17ClN4O5S2 MW 468.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O5S2/c1-5-30(26,27)18-21-8-11(19)13(22-18)15(24)23-16-12(17(25)28-4)10(3)14(29-16)9(2)6-7-20/h6,8H,5H2,1-4H3,(H,23,24)/b9-6+InChIKey
OPUAZTOVKKGASV-RMKNXTFCSA-NSynonyms
CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C(=C(S2)C(=CC#N)C)C)C(=O)OC)Cl
InChI=1SC18H17ClN4O5S2c1530(2627)1821811(19)13(2218)15(24)231612(17(25)284)10(3)14(2916)9(2)6720h68H5H214H3(H2324)b96+
methyl2(((5chloro2(ethylsulfonyl)pyrimidin4yl)carbonyl)amino)5((1E)1cyanoprop1en2yl)4methylthiophene3carboxylate
methyl2((5chloro2ethylsulfonylpyrimidine4carbonyl)amino)5((E)1cyanoprop1en2yl)4methylthiophene3carboxylate
MFCD06648838
N#CC=C(c1sc(c(c1C)C(=O)OC)NC(=O)c1nc(ncc1Cl)S(=O)(=O)CC)C
ZINC000008867555
ZINC08867555
ZINC8867555
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