Vitas-M small molecule compound
(5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL193775
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-])Cc1ccco1
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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 C20H12ClN3O7 MW 441.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12ClN3O7/c21-16-5-3-11(24(28)29)8-14(16)17-6-4-12(31-17)9-15-18(25)22-20(27)23(19(15)26)10-13-2-1-7-30-13/h1-9H,10H2,(H,22,25,27)/b15-9-InChIKey
XIVFOQXHOHFRRE-DHDCSXOGSA-NSynonyms
(5Z)5((5(2chloro5nitrophenyl)furan2yl)methylidene)1(furan2ylmethyl)13diazinane246trione
(5Z)5((5(2chloro5nitrophenyl)furan2yl)methylidene)1(furan2ylmethyl)pyrimidine246(1H3H5H)trione
C1=COC(=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)NC2=O
InChI=1SC20H12ClN3O7c21165311(24(28)29)814(16)176412(3117)91518(25)2220(27)23(19(15)26)10132173013h19H10H2(H222527)b159
MFCD02196026
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)c1cc(ccc1Cl)(N+)(=O)(O))Cc1ccco1
ZINC000059534698
ZINC59534698
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