Vitas-M small molecule compound

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

Catalog ID
STK802686
SMILES COC(=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 C13H13ClN2O2S MW 296.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-5-3-4-6-9(8)14/h3-6,11H,1-2H3,(H2,15,16,19)
InChIKey
IGCFTBUKAOHMJB-UHFFFAOYSA-N
Synonyms
134141-09-6
134141096
CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)OC
InChI=1SC13H13ClN2O2Sc1710(12(17)182)11(1613(19)157)853469(8)14h3611H12H3(H2151619)
METHYL4(2CHLOROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(2chlorophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD00695863
ZINC000000073748
ZINC000000073752

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Available files

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