Vitas-M small molecule compound

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

Catalog ID
STL041450
SMILES O=C1N=C([S-])N(C(=O)/C/1=C\c1ccc(cc1)[NH+]1CCCCCC1)C1CCCCC1

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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 C23H29N3O2S MW 411.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O2S/c27-21-20(22(28)26(23(29)24-21)19-8-4-3-5-9-19)16-17-10-12-18(13-11-17)25-14-6-1-2-7-15-25/h10-13,16,19H,1-9,14-15H2,(H,24,27,29)/b20-16-
InChIKey
ZFPIKNJXEVJMBQ-SILNSSARSA-N
Synonyms
848756-25-2
(5Z)5(4(azepanium1yl)benzylidene)1cyclohexyl46dioxo1456tetrahydropyrimidine2thiolate
848756252
MFCD18248104
O=C1N=C((S))N(C(=O)C1=Cc1ccc(cc1)(NH+)1CCCCCC1)C1CCCCC1
ZINC000017208902

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Available files

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