Vitas-M small molecule compound

1,3-dimethyl-2-thioxo-5-(2,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187241
SMILES COc1cc(OC)c(cc1C=C1C(=O)N(C)C(=S)N(C1=O)C)OC

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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 C16H18N2O5S MW 350.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O5S/c1-17-14(19)10(15(20)18(2)16(17)24)6-9-7-12(22-4)13(23-5)8-11(9)21-3/h6-8H,1-5H3
InChIKey
FWRIZXAYQOCLAN-UHFFFAOYSA-N
Synonyms
401610-78-4
13DIMETHYL2SULFANYLIDENE5((245TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE46DIONE
13DIMETHYL2THIOXO5(245TRIMETHOXYBENZYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
401610784
CN1C(=O)C(=CC2=CC(=C(C=C2OC)OC)OC)C(=O)N(C1=S)C
InChI=1SC16H18N2O5Sc11714(19)10(15(20)18(2)16(17)24)69712(224)13(235)811(9)213h68H15H3
MFCD02608738
ZINC000001186261
ZINC01186261
ZINC1186261

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Available files

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