Vitas-M small molecule compound
(5E)-5-{[(2-aminocyclohexyl)amino]methylidene}-1-(3-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL039109
SMILES COc1cccc(c1)N1C(=NC(=O)/C(=C\NC2CCCCC2N)/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 C18H22N4O3S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S/c1-25-12-6-4-5-11(9-12)22-17(24)13(16(23)21-18(22)26)10-20-15-8-3-2-7-14(15)19/h4-6,9-10,14-15,20H,2-3,7-8,19H2,1H3,(H,21,23,26)/b13-10+InChIKey
BSCUFYBPWHGEKW-JLHYYAGUSA-NSynonyms
(5E)5(((2aminocyclohexyl)amino)methylidene)1(3methoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(((2aminocyclohexyl)amino)methylidene)1(3methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
COC1=CC=CC(=C1)N2C(=O)C(=CNC3CCCCC3N)C(=O)NC2=S
COc1cccc(c1)N1C(=NC(=O)C(=CNC2CCCCC2N)C1=O)S
InChI=1SC18H22N4O3Sc1251264511(912)2217(24)13(16(23)2118(22)26)102015832714(15)19h46910141520H237819H21H3(H212326)b1310+
MFCD04073444
ZINC000019366153
ZINC000020292070
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