Vitas-M small molecule compound

N-(2-ethoxyphenyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide

Catalog ID
STK565030
SMILES CCOc1ccccc1NC(=O)C1=C(C)N=C(NC1c1cccc(c1)[N+](=O)[O-])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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-3-28-16-10-5-4-9-15(16)22-19(25)17-12(2)21-20(29)23-18(17)13-7-6-8-14(11-13)24(26)27/h4-11,18H,3H2,1-2H3,(H,22,25)(H2,21,23,29)
InChIKey
AYQGDHDSQJWDFT-UHFFFAOYSA-N
Synonyms
373375-47-4
373375474
CCOc1ccccc1NC(=O)C1=C(C)N=C(NC1c1cccc(c1)(N+)(=O)(O))S
MFCD03810626
ZINC000004806353
ZINC000006784216

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Available files

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