Vitas-M small molecule compound
methyl {4-[5-(benzylcarbamoyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetate
Catalog ID
STL181556
SMILES COC(=O)COc1ccc(cc1)C1NC(=S)NC(=C1C(=O)NCc1ccccc1)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 C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-14-19(21(27)23-12-15-6-4-3-5-7-15)20(25-22(30)24-14)16-8-10-17(11-9-16)29-13-18(26)28-2/h3-11,20H,12-13H2,1-2H3,(H,23,27)(H2,24,25,30)InChIKey
WIMKCEJQYPEYMC-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC(=O)OC)C(=O)NCC3=CC=CC=C3
InChI=1SC22H23N3O4Sc11419(21(27)2312156435715)20(2522(30)2414)1681017(11916)291318(26)282h31120H1213H212H3(H2327)(H2242530)
methyl(4(5(benzylcarbamoyl)6methyl2thioxo1234tetrahydropyrimidin4yl)phenoxy)acetate
METHYL2(4(5(BENZYLCARBAMOYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN4YL)PHENOXY)ACETATE
MFCD05996132
ZINC000001126962
ZINC000001126966
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