Vitas-M small molecule compound

(5Z)-1-(3-bromophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK170343
SMILES Brc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccccc2[N+](=O)[O-])/C1=O

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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 C21H12BrN3O6 MW 482.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrN3O6/c22-12-4-3-5-13(10-12)24-20(27)16(19(26)23-21(24)28)11-14-8-9-18(31-14)15-6-1-2-7-17(15)25(29)30/h1-11H,(H,23,26,28)/b16-11-
InChIKey
NSMRRNNNRJAWSL-WJDWOHSUSA-N
Synonyms

(5Z)1(3BROMOPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3BROMOPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)3(3BROMOPHENYL)6HYDROXY5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)PYRIMIDINE24(3H5H)DIONE
(Z)1(3bromophenyl)5((5(2nitrophenyl)furan2yl)methylene)pyrimidine246(1H3H5H)trione
Brc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C1=O
C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br)(N+)(=O)(O)
InChI=1SC21H12BrN3O6c221243513(1012)2420(27)16(19(26)2321(24)28)11148918(3114)15612717(15)25(29)30h111H(H232628)b1611
MFCD02213167
ZINC13570298

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Available files

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