Vitas-M small molecule compound

(5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK549149
SMILES Cc1ccc(c(c1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O)C

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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 C21H20N4O5 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5/c1-12-5-6-13(2)17(9-12)24-20(27)15(19(26)22-21(24)28)10-14-7-8-16(23(3)4)18(11-14)25(29)30/h5-11H,1-4H3,(H,22,26,28)/b15-10+
InChIKey
YDPNDYAFPIKCKK-XNTDXEJSSA-N
Synonyms
537020-55-6
(5E)5((4(DIMETHYLAMINO)3NITROPHENYL)METHYLIDENE)1(25DIMETHYLPHENYL)13DIAZINANE246TRIONE
(5E)5(4(dimethylamino)3nitrobenzylidene)1(25dimethylphenyl)pyrimidine246(1H3H5H)trione
(E)5(4(dimethylamino)3nitrobenzylidene)1(25dimethylphenyl)pyrimidine246(1H3H5H)trione
537020556
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)(N+)(=O)(O))C(=O)NC2=O
Cc1ccc(c(c1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))N(C)C)C1=O)C
InChI=1SC21H20N4O5c1125613(2)17(912)2420(27)15(19(26)2221(24)28)10147816(23(3)4)18(1114)25(29)30h511H14H3(H222628)b1510+
MFCD03618202
ZINC000005023160
ZINC5023160

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Available files

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