Vitas-M small molecule compound

prop-2-en-1-yl 4-(4-ethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK812938
SMILES C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)CC

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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 C17H20N2O2S MW 316.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O2S/c1-4-10-21-16(20)14-11(3)18-17(22)19-15(14)13-8-6-12(5-2)7-9-13/h4,6-9,15H,1,5,10H2,2-3H3,(H2,18,19,22)
InChIKey
WRCFZKHVUMCNOC-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC=C
InChI=1SC17H20N2O2Sc14102116(20)1411(3)1817(22)1915(14)138612(52)7913h46915H1510H223H3(H2181922)
MFCD04441086
prop2en1yl4(4ethylphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
PROP2ENYL4(4ETHYLPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000006791727
ZINC000006791746

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Available files

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