Vitas-M small molecule compound
ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107749
SMILES CCOC(=O)C1=C(CN2CCN(CC2)C(=O)C)NC(=O)NC1c1ccc(cc1)SC
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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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-4-29-20(27)18-17(13-24-9-11-25(12-10-24)14(2)26)22-21(28)23-19(18)15-5-7-16(30-3)8-6-15/h5-8,19H,4,9-13H2,1-3H3,(H2,22,23,28)InChIKey
TVTOSGSIPMGMDU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC)CN3CCN(CC3)C(=O)C
ethyl6((4acetylpiperazin1yl)methyl)4(4(methylsulfanyl)phenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4acetylpiperazin1yl)methyl)4(4methylsulfanylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H28N4O4Sc142920(27)1817(132491125(121024)14(2)26)2221(28)2319(18)155716(303)8615h5819H4913H213H3(H2222328)
MFCD20741677
ZINC000067286962
ZINC000067286965
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