Vitas-M small molecule compound

(5Z)-5-[4-(azepanium-1-yl)benzylidene]-1-cyclopropyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate

Catalog ID
STL052449
SMILES O=C1N=C([S-])N(C(=O)/C/1=C\c1ccc(cc1)[NH+]1CCCCCC1)C1CC1

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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 C20H23N3O2S MW 369.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O2S/c24-18-17(19(25)23(16-9-10-16)20(26)21-18)13-14-5-7-15(8-6-14)22-11-3-1-2-4-12-22/h5-8,13,16H,1-4,9-12H2,(H,21,24,26)/b17-13-
InChIKey
NFRVSQKFYHFMCC-LGMDPLHJSA-N
Synonyms
845649-61-8
(5Z)5(4(azepanium1yl)benzylidene)1cyclopropyl46dioxo1456tetrahydropyrimidine2thiolate
845649618
MFCD18249466
O=C1N=C((S))N(C(=O)C1=Cc1ccc(cc1)(NH+)1CCCCCC1)C1CC1
ZINC000017246797

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Available files

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