Vitas-M small molecule compound

methyl 6-methyl-4-(3-methylthiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK808582
SMILES COC(=O)C1=C(C)NC(=S)NC1c1sccc1C

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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 C12H14N2O2S2 MW 282.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O2S2/c1-6-4-5-18-10(6)9-8(11(15)16-3)7(2)13-12(17)14-9/h4-5,9H,1-3H3,(H2,13,14,17)
InChIKey
HVVKGBOHJKUMBP-UHFFFAOYSA-N
Synonyms
372496-39-4
CC1=C(SC=C1)C2C(=C(NC(=S)N2)C)C(=O)OC
InChI=1SC12H14N2O2S2c16451810(6)98(11(15)163)7(2)1312(17)149h459H13H3(H2131417)
METHYL6METHYL4(3METHYLTHIOPHEN2YL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl6methyl4(3methylthiophen2yl)2thioxo1234tetrahydropyrimidine5carboxylate
MFCD01943083
ZINC000013634497
ZINC000013634500

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Available files

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