Vitas-M small molecule compound

propan-2-yl 6-(2-chlorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate

Catalog ID
STK056191
SMILES CC(OC(=O)C1=C(C)N=C(NC1c1ccccc1Cl)S)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 C15H17ClN2O2S MW 324.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClN2O2S/c1-8(2)20-14(19)12-9(3)17-15(21)18-13(12)10-6-4-5-7-11(10)16/h4-8,13H,1-3H3,(H2,17,18,21)
InChIKey
CBWQQZVXLUUARD-UHFFFAOYSA-N
Synonyms
300697-65-8
CC(OC(=O)C1=C(C)N=C(NC1c1ccccc1Cl)S)C
CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)OC(C)C
InChI=1SC15H17ClN2O2Sc18(2)2014(19)129(3)1715(21)1813(12)10645711(10)16h4813H13H3(H2171821)
MFCD04085901
PROPAN2YL4(2CHLOROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
PROPAN2YL6(2CHLOROPHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
STK056191
ZINC000006263501
ZINC000006263525

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Available files

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