Vitas-M small molecule compound
(5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL046069
SMILES COc1ccccc1N1C(=NC(=O)/C(=C\NCCCn2ccnc2)/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 C18H19N5O3S MW 385.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S/c1-26-15-6-3-2-5-14(15)23-17(25)13(16(24)21-18(23)27)11-19-7-4-9-22-10-8-20-12-22/h2-3,5-6,8,10-12,19H,4,7,9H2,1H3,(H,21,24,27)/b13-11+InChIKey
LNYQNHLEWACGCC-ACCUITESSA-NSynonyms
(5E)5(((3(1Himidazol1yl)propyl)amino)methylidene)1(2methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((3IMIDAZOL1YLPROPYLAMINO)METHYLIDENE)1(2METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
COC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S
COc1ccccc1N1C(=NC(=O)C(=CNCCCn2ccnc2)C1=O)S
InChI=1SC18H19N5O3Sc12615632514(15)2317(25)13(16(24)2118(23)27)111974922108201222h23568101219H479H21H3(H212427)b1311+
MFCD03802227
ZINC000005988187
ZINC000103110061
ZINC05988187
ZINC5988187
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