Vitas-M small molecule compound

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

Catalog ID
STK812682
SMILES COc1cc(cc(c1OC)OC)C1NC(=S)NC(=C1C(=O)OCC(C)C)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 C19H26N2O5S MW 394.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N2O5S/c1-10(2)9-26-18(22)15-11(3)20-19(27)21-16(15)12-7-13(23-4)17(25-6)14(8-12)24-5/h7-8,10,16H,9H2,1-6H3,(H2,20,21,27)
InChIKey
VFGDNZVLWFMRTQ-UHFFFAOYSA-N
Synonyms

2METHYLPROPYL6METHYL2SULFANYLIDENE4(345TRIMETHOXYPHENYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2methylpropyl6methyl2thioxo4(345trimethoxyphenyl)1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC(C)C
InChI=1SC19H26N2O5Sc110(2)92618(22)1511(3)2019(27)2116(15)12713(234)17(256)14(812)245h781016H9H216H3(H2202127)
MFCD04445877
ZINC000006755159
ZINC000006755230

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Available files

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