Vitas-M small molecule compound
benzyl 6-methyl-4-[(E)-2-phenylethenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812518
SMILES S=C1NC(/C=C/c2ccccc2)C(=C(N1)C)C(=O)OCc1ccccc1
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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 C21H20N2O2S MW 364.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O2S/c1-15-19(20(24)25-14-17-10-6-3-7-11-17)18(23-21(26)22-15)13-12-16-8-4-2-5-9-16/h2-13,18H,14H2,1H3,(H2,22,23,26)/b13-12+InChIKey
CEIOUFLRAGIKIY-OUKQBFOZSA-NSynonyms
BENZYL6METHYL4((E)2PHENYLETHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl6methyl4((E)2phenylethenyl)2thioxo1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C=CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
InChI=1SC21H20N2O2Sc11519(20(24)251417106371117)18(2321(26)2215)1312168425916h21318H14H21H3(H2222326)b1312+
MFCD03722893
S=C1NC(C=Cc2ccccc2)C(=C(N1)C)C(=O)OCc1ccccc1
ZINC000008682318
ZINC000013483027
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