Vitas-M small molecule compound
(5Z)-1-cyclohexyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK017252
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])C1CCCCC1
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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 C21H19N3O6 MW 409.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6/c25-19-17(20(26)23(21(27)22-19)14-6-2-1-3-7-14)12-16-9-10-18(30-16)13-5-4-8-15(11-13)24(28)29/h4-5,8-12,14H,1-3,6-7H2,(H,22,25,27)/b17-12-InChIKey
MJWFJHPMYDZYEC-ATVHPVEESA-NSynonyms
(5Z)1CYCLOHEXYL5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1CYCLOHEXYL5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C1CCC(CC1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)NC2=O
InChI=1SC21H19N3O6c251917(20(26)23(21(27)2219)146213714)121691018(3016)1354815(1113)24(28)29h4581214H1367H2(H222527)b1712
MFCD02314449
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C1CCCCC1
STK017252
ZINC000013940208
ZINC13940208
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