Vitas-M small molecule compound

methyl 4-(3-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK099940
SMILES CCOc1cc(ccc1O)C1NC(=O)N(C(=C1C(=O)OC)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 C16H20N2O5 MW 320.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O5/c1-5-23-12-8-10(6-7-11(12)19)14-13(15(20)22-4)9(2)18(3)16(21)17-14/h6-8,14,19H,5H2,1-4H3,(H,17,21)
InChIKey
RDAAITBSRDTDNT-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OC)O
CCOc1cc(ccc1O)C1NC(=O)N(C(=C1C(=O)OC)C)C
InChI=1SC16H20N2O5c152312810(6711(12)19)1413(15(20)224)9(2)18(3)16(21)1714h681419H5H214H3(H1721)
methyl4(3ethoxy4hydroxyphenyl)16dimethyl2oxo1234tetrahydropyrimidine5carboxylate
METHYL6(3ETHOXY4HYDROXYPHENYL)34DIMETHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
METHYL6(3ETHOXY4HYDROXYPHENYL)34DIMETHYL2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
MFCD00718191
STK099940
ZINC000000124196
ZINC000000124200

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Available files

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