Vitas-M small molecule compound

methyl 6-(3,4-diethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate

Catalog ID
STK103398
SMILES CCOc1cc(ccc1OCC)C1NC(=NC(=C1C(=O)OC)C)S

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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 C17H22N2O4S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4S/c1-5-22-12-8-7-11(9-13(12)23-6-2)15-14(16(20)21-4)10(3)18-17(24)19-15/h7-9,15H,5-6H2,1-4H3,(H2,18,19,24)
InChIKey
HIAGWPAQHRYXRP-UHFFFAOYSA-N
Synonyms
431998-40-2
431998402
CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC
InChI=1SC17H22N2O4Sc1522128711(913(12)2362)1514(16(20)214)10(3)1817(24)1915h7915H56H214H3(H2181924)
METHYL4(34DIETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
METHYL6(34DIETHOXYPHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
MFCD03167739

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Available files

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