Vitas-M small molecule compound

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

Catalog ID
STK868798
SMILES CSc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OC(C)C)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 C16H20N2O2S2 MW 336.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O2S2/c1-9(2)20-15(19)13-10(3)17-16(21)18-14(13)11-5-7-12(22-4)8-6-11/h5-9,14H,1-4H3,(H2,17,18,21)
InChIKey
DVGXWJVOMNCNNV-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)SC)C(=O)OC(C)C
InChI=1SC16H20N2O2S2c19(2)2015(19)1310(3)1716(21)1814(13)115712(224)8611h5914H14H3(H2171821)
MFCD03517763
propan2yl6methyl4(4(methylsulfanyl)phenyl)2thioxo1234tetrahydropyrimidine5carboxylate
PROPAN2YL6METHYL4(4METHYLSULFANYLPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE

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Available files

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