Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK022732
SMILES Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C22H13ClN2O6 MW 436.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN2O6/c23-13-3-1-2-12(8-13)17-7-5-15(31-17)10-16-20(26)24-22(28)25(21(16)27)14-4-6-18-19(9-14)30-11-29-18/h1-10H,11H2,(H,24,26,28)/b16-10+InChIKey
CXSFAYVKKJMVRS-MHWRWJLKSA-NSynonyms
(5E)1(13BENZODIOXOL5YL)5((5(3CHLOROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(13BENZODIOXOL5YL)5((5(3CHLOROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)Cl)C(=O)NC3=O
Clc1cccc(c1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC22H13ClN2O6c231331212(813)177515(3117)101620(26)2422(28)25(21(16)27)14461819(914)30112918h110H11H2(H242628)b1610+
MFCD02604839
STK022732
ZINC000001173471
ZINC01173471
ZINC1173471
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