Vitas-M small molecule compound
(5E)-5-[(hexylamino)methylidene]-1-(naphthalen-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK568069
SMILES CCCCCCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc2c1cccc2)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-2-3-4-7-13-22-14-17-19(25)23-21(27)24(20(17)26)18-12-8-10-15-9-5-6-11-16(15)18/h5-6,8-12,14,22H,2-4,7,13H2,1H3,(H,23,25,27)/b17-14+InChIKey
FKOKVOSXLMGERG-SAPNQHFASA-NSynonyms
(5E)5((hexylamino)methylidene)1(naphthalen1yl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((HEXYLAMINO)METHYLIDENE)1NAPHTHALEN1YL2SULFANYLIDENE13DIAZINANE46DIONE
CCCCCCNC=C1C(=O)N=C(N(C1=O)c1cccc2c1cccc2)S
CCCCCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC3=CC=CC=C32
InChI=1SC21H23N3O2Sc123471322141719(25)2321(27)24(20(17)26)1812810159561116(15)18h568121422H24713H21H3(H232527)b1714+
MFCD05727024
ZINC000001758529
ZINC1758529
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