Vitas-M small molecule compound

ethyl 4-(2-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK825422
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1Cl

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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 C14H15ClN2O2S MW 310.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15ClN2O2S/c1-3-19-13(18)11-8(2)16-14(20)17-12(11)9-6-4-5-7-10(9)15/h4-7,12H,3H2,1-2H3,(H2,16,17,20)
InChIKey
KQXFBPXQGHDFBT-UHFFFAOYSA-N
Synonyms
301359-45-5
301359455
CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2Cl)C
ETHYL4(2CHLOROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(2chlorophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC14H15ClN2O2Sc131913(18)118(2)1614(20)1712(11)9645710(9)15h4712H3H212H3(H2161720)
MFCD00492553
ZINC000000364336
ZINC000000364340

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Available files

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