Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK066919
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(o1)c1cccc(c1)[N+](=O)[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 C22H13N3O8 MW 447.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13N3O8/c26-20-16(10-15-5-7-17(33-15)12-2-1-3-14(8-12)25(29)30)21(27)24(22(28)23-20)13-4-6-18-19(9-13)32-11-31-18/h1-10H,11H2,(H,23,26,28)/b16-10+InChIKey
KDTGYMDKPQOJTL-MHWRWJLKSA-NSynonyms
(5E)1(13BENZODIOXOL5YL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(13BENZODIOXOL5YL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)NC3=O
InChI=1SC22H13N3O8c262016(10155717(3315)1221314(812)25(29)30)21(27)24(22(28)2320)13461819(913)32113118h110H11H2(H232628)b1610+
MFCD02920076
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))c1ccc2c(c1)OCO2
STK066919
ZINC000001174157
ZINC1174157
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