Vitas-M small molecule compound
(5E)-5-[4-(azepan-1-yl)benzylidene]-1-hexyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK560457
SMILES CCCCCCN1C(=NC(=O)/C(=C\c2ccc(cc2)N2CCCCCC2)/C1=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 C23H31N3O2S MW 413.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O2S/c1-2-3-4-9-16-26-22(28)20(21(27)24-23(26)29)17-18-10-12-19(13-11-18)25-14-7-5-6-8-15-25/h10-13,17H,2-9,14-16H2,1H3,(H,24,27,29)/b20-17+InChIKey
GBDRURYUEYYUPK-LVZFUZTISA-NSynonyms
(5E)5((4(AZEPAN1YL)PHENYL)METHYLIDENE)1HEXYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4(azepan1yl)benzylidene)1hexyl2sulfanylpyrimidine46(1H5H)dione
CCCCCCN1C(=NC(=O)C(=Cc2ccc(cc2)N2CCCCCC2)C1=O)S
InChI=1SC23H31N3O2Sc12349162622(28)20(21(27)2423(26)29)1718101219(131118)251475681525h101317H291416H21H3(H242729)b2017+
MFCD04081263
ZINC000002412125
ZINC2412125
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