Vitas-M small molecule compound
(5E)-1-(3-chloro-4-methylphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175261
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(o1)N1CCCCC1)c1ccc(c(c1)Cl)C
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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 C21H20ClN3O4 MW 413.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4/c1-13-5-6-14(11-17(13)22)25-20(27)16(19(26)23-21(25)28)12-15-7-8-18(29-15)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,26,28)/b16-12+InChIKey
APMJUXGVSFVZSB-FOWTUZBSSA-NSynonyms
(5E)1(3CHLORO4METHYLPHENYL)5((5(PIPERIDIN1YL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(3CHLORO4METHYLPHENYL)5((5PIPERIDIN1YLFURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)C(=O)NC2=O)Cl
InChI=1SC21H20ClN3O4c1135614(1117(13)22)2520(27)16(19(26)2321(25)28)12157818(2915)2493241024h581112H24910H21H3(H232628)b1612+
MFCD04558936
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)N1CCCCC1)c1ccc(c(c1)Cl)C
ZINC000001163730
ZINC01163730
ZINC1163730
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