Vitas-M small molecule compound
ethyl 2-[(4-cyanobenzyl)sulfanyl]-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Catalog ID
STL181398
SMILES CCOC(=O)C1=C(C)NC(=NC1c1c(OC)ccc2c1cccc2)SCc1ccc(cc1)C#N
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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 C27H25N3O3S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3S/c1-4-33-26(31)23-17(2)29-27(34-16-19-11-9-18(15-28)10-12-19)30-25(23)24-21-8-6-5-7-20(21)13-14-22(24)32-3/h5-14,25H,4,16H2,1-3H3,(H,29,30)InChIKey
PGWOEBFMFKSYCL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=NC1C2=C(C=CC3=CC=CC=C32)OC)SCC4=CC=C(C=C4)C#N)C
ethyl2((4cyanobenzyl)sulfanyl)4(2methoxynaphthalen1yl)6methyl14dihydropyrimidine5carboxylate
ethyl2((4cyanophenyl)methylsulfanyl)4(2methoxynaphthalen1yl)6methyl14dihydropyrimidine5carboxylate
InChI=1SC27H25N3O3Sc143326(31)2317(2)2927(34161911918(1528)101219)3025(23)2421865720(21)131422(24)323h51425H416H213H3(H2930)
MFCD02608790
ZINC000008451627
ZINC000008451629
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