Vitas-M small molecule compound
methyl 2-({[5-chloro-2-(propylsulfonyl)pyrimidin-4-yl]carbonyl}amino)-5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate
Catalog ID
STK909660
SMILES CCCS(=O)(=O)c1ncc(c(n1)C(=O)Nc1sc(c(c1C(=O)OC)C)/C(=C/C#N)/C)Cl
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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 C19H19ClN4O5S2 MW 482.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN4O5S2/c1-5-8-31(27,28)19-22-9-12(20)14(23-19)16(25)24-17-13(18(26)29-4)11(3)15(30-17)10(2)6-7-21/h6,9H,5,8H2,1-4H3,(H,24,25)/b10-6+InChIKey
FPZKZEVHTGLXGP-UXBLZVDNSA-NSynonyms
CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C(=C(S2)C(=CC#N)C)C)C(=O)OC)Cl
CCCS(=O)(=O)c1ncc(c(n1)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=CC#N)C)Cl
InChI=1SC19H19ClN4O5S2c15831(2728)1922912(20)14(2319)16(25)241713(18(26)294)11(3)15(3017)10(2)6721h69H58H214H3(H2425)b106+
METHYL2(((5CHLORO2(PROPYLSULFONYL)4PYRIMIDINYL)CARBONYL)AMINO)5(2CYANO1METHYLVINYL)4METHYL3THIOPHENECARBOXYLATE
methyl2(((5chloro2(propylsulfonyl)pyrimidin4yl)carbonyl)amino)5((1E)1cyanoprop1en2yl)4methylthiophene3carboxylate
methyl2((5chloro2propylsulfonylpyrimidine4carbonyl)amino)5((E)1cyanoprop1en2yl)4methylthiophene3carboxylate
MFCD06651438
ZINC000008867556
ZINC08867556
ZINC8867556
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