Vitas-M small molecule compound
ethyl 1-(2-chlorobenzyl)-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK621697
SMILES CCOC(=O)C1=C(C)N(C(=S)NC1c1ccc(cc1)Cl)Cc1ccccc1Cl
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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 C21H20Cl2N2O2S MW 435.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2O2S/c1-3-27-20(26)18-13(2)25(12-15-6-4-5-7-17(15)23)21(28)24-19(18)14-8-10-16(22)11-9-14/h4-11,19H,3,12H2,1-2H3,(H,24,28)InChIKey
PQGPUZXIKKQMAD-UHFFFAOYSA-NSynonyms
921163-64-6921163646
CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3Cl)C
ethyl1(2chlorobenzyl)4(4chlorophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ethyl6(4chlorophenyl)3((2chlorophenyl)methyl)4methyl2sulfanylidene16dihydropyrimidine5carboxylate
InChI=1SC21H20Cl2N2O2Sc132720(26)1813(2)25(1215645717(15)23)21(28)2419(18)1481016(22)11914h41119H312H212H3(H2428)
MFCD08747543
ZINC000009306242
ZINC000009306244
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