Vitas-M small molecule compound

ethyl 6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL435668
SMILES CCOC(=O)C1=C(CSc2cc(Cl)ccc2Cl)NC(=O)NC1c1ccc(cc1)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 C21H20Cl2N2O4S MW 467.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2O4S/c1-3-29-20(26)18-16(11-30-17-10-13(22)6-9-15(17)23)24-21(27)25-19(18)12-4-7-14(28-2)8-5-12/h4-10,19H,3,11H2,1-2H3,(H2,24,25,27)
InChIKey
TVWLVXYPXUYKPD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=C(C=CC(=C3)Cl)Cl
ethyl6(((25dichlorophenyl)sulfanyl)methyl)4(4methoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((25dichlorophenyl)sulfanylmethyl)4(4methoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H20Cl2N2O4Sc132920(26)1816(1130171013(22)6915(17)23)2421(27)2519(18)124714(282)8512h41019H311H212H3(H2242527)
MFCD07048816
ZINC000066089496
ZINC000066089498

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Available files

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