Vitas-M small molecule compound
(5Z)-5-{3-methoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK097401
SMILES C=CCN1C(=O)NC(=O)/C(=C/c2ccc(c(c2)OC)OCc2ccccc2[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 C22H19N3O7 MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O7/c1-3-10-24-21(27)16(20(26)23-22(24)28)11-14-8-9-18(19(12-14)31-2)32-13-15-6-4-5-7-17(15)25(29)30/h3-9,11-12H,1,10,13H2,2H3,(H,23,26,28)/b16-11-InChIKey
HWXDSRNDPHCRNL-WJDWOHSUSA-NSynonyms
(5Z)5((3METHOXY4((2NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
(5Z)5(3METHOXY4((2NITROBENZYL)OXY)BENZYLIDENE)1(PROP2EN1YL)PYRIMIDINE246(1H3H5H)TRIONE
1ALLYL5(3METHOXY4(2NITROBENZYLOXY)BENZYLIDENE)PYRIMIDINE246TRIONE
C=CCN1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccccc2(N+)(=O)(O))C1=O
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)CC=C)OCC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC22H19N3O7c13102421(27)16(20(26)2322(24)28)11148918(19(1214)312)321315645717(15)25(29)30h391112H11013H22H3(H232628)b1611
MFCD01026966
STK097401
ZINC000000831536
ZINC00831536
ZINC831536
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