Vitas-M small molecule compound

ethyl 6-[(4-carbamoylpiperidin-1-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL107743
SMILES CCOC(=O)C1=C(CN2CCC(CC2)C(=O)N)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/c1-3-29-20(27)17-16(12-25-10-8-14(9-11-25)19(22)26)23-21(28)24-18(17)13-4-6-15(30-2)7-5-13/h4-7,14,18H,3,8-12H2,1-2H3,(H2,22,26)(H2,23,24,28)
InChIKey
ZDSZQHCJBIEEMZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC)CN3CCC(CC3)C(=O)N
ethyl6((4carbamoylpiperidin1yl)methyl)4(4(methylsulfanyl)phenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4carbamoylpiperidin1yl)methyl)4(4methylsulfanylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H28N4O4Sc132920(27)1716(122510814(91125)19(22)26)2321(28)2418(17)134615(302)7513h471418H3812H212H3(H22226)(H2232428)
MFCD20741671
ZINC000067286927
ZINC000067286930

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Available files

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