Vitas-M small molecule compound
(5E)-1-(2-methylphenyl)-5-({[3-(piperidin-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL039181
SMILES O=C1N=C(S)N(C(=O)/C/1=C/NCCCN1CCCCC1)c1ccccc1C
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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 C20H26N4O2S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2S/c1-15-8-3-4-9-17(15)24-19(26)16(18(25)22-20(24)27)14-21-10-7-13-23-11-5-2-6-12-23/h3-4,8-9,14,21H,2,5-7,10-13H2,1H3,(H,22,25,27)/b16-14+InChIKey
FEIPDRLMKPOTRQ-JQIJEIRASA-NSynonyms
(5E)1(2methylphenyl)5(((3(piperidin1yl)propyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(2METHYLPHENYL)5((3PIPERIDIN1YLPROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC=CC=C1N2C(=O)C(=CNCCCN3CCCCC3)C(=O)NC2=S
InChI=1SC20H26N4O2Sc115834917(15)2419(26)16(18(25)2220(24)27)14211071323115261223h34891421H2571013H21H3(H222527)b1614+
MFCD04074800
O=C1N=C(S)N(C(=O)C1=CNCCCN1CCCCC1)c1ccccc1C
ZINC000020266142
ZINC20266142
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