Vitas-M small molecule compound

methyl 4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL181483
SMILES CCCCOc1cc(Br)c(cc1OCC)C1NC(=S)NC(=C1C(=O)OC)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 C19H25BrN2O4S MW 457.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25BrN2O4S/c1-5-7-8-26-15-10-13(20)12(9-14(15)25-6-2)17-16(18(23)24-4)11(3)21-19(27)22-17/h9-10,17H,5-8H2,1-4H3,(H2,21,22,27)
InChIKey
YNLFSMHGCWZWDR-UHFFFAOYSA-N
Synonyms

CCCCOC1=C(C=C(C(=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC
InChI=1SC19H25BrN2O4Sc157826151013(20)12(914(15)2562)1716(18(23)244)11(3)2119(27)2217h91017H58H214H3(H2212227)
METHYL4(2BROMO4BUTOXY5ETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(2bromo4butoxy5ethoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD05992970
ZINC000016361741
ZINC000016361743

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Available files

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