Vitas-M small molecule compound
ethyl 4-{2-[2-(benzylamino)-2-oxoethoxy]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181591
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1OCC(=O)NCc1ccccc1
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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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-3-29-22(28)20-15(2)25-23(31)26-21(20)17-11-7-8-12-18(17)30-14-19(27)24-13-16-9-5-4-6-10-16/h4-12,21H,3,13-14H2,1-2H3,(H,24,27)(H2,25,26,31)InChIKey
AQXXALMZFUQTLT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC(=O)NCC3=CC=CC=C3)C
ETHYL4(2(2(BENZYLAMINO)2OXOETHOXY)PHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(2(2(benzylamino)2oxoethoxy)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC23H25N3O4Sc132922(28)2015(2)2523(31)2621(20)1711781218(17)301419(27)24131695461016h41221H31314H212H3(H2427)(H2252631)
MFCD05996036
ZINC000001126626
ZINC000001126629
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