Vitas-M small molecule compound

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

Catalog ID
STK812522
SMILES S=C1NC(=C(C(N1)c1ccc(cc1)F)C(=O)OCc1ccccc1)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 C19H17FN2O2S MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17FN2O2S/c1-12-16(18(23)24-11-13-5-3-2-4-6-13)17(22-19(25)21-12)14-7-9-15(20)10-8-14/h2-10,17H,11H2,1H3,(H2,21,22,25)
InChIKey
KQUCNXKEYHVKMJ-UHFFFAOYSA-N
Synonyms
503432-52-8
503432528
BENZYL4(4FLUOROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl4(4fluorophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3
InChI=1SC19H17FN2O2Sc11216(18(23)2411135324613)17(2219(25)2112)147915(20)10814h21017H11H21H3(H2212225)
MFCD03132715
ZINC000001127358
ZINC000001127359

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Available files

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