Vitas-M small molecule compound

methyl 4-[4-(methoxycarbonyl)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK868535
SMILES COC(=O)c1ccc(cc1)C1NC(=S)NC(=C1C(=O)OC)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 C15H16N2O4S MW 320.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O4S/c1-8-11(14(19)21-3)12(17-15(22)16-8)9-4-6-10(7-5-9)13(18)20-2/h4-7,12H,1-3H3,(H2,16,17,22)
InChIKey
YFCVTMDCRYHITE-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)OC
InChI=1SC15H16N2O4Sc1811(14(19)213)12(1715(22)168)94610(759)13(18)202h4712H13H3(H2161722)
methyl4(4(methoxycarbonyl)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
METHYL4(4METHOXYCARBONYLPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD01457543
ZINC000000311295
ZINC000000311296

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.