Vitas-M small molecule compound
(5Z)-1-(3-methylphenyl)-5-{4-[2-(4-nitrophenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK020117
SMILES Cc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2ccc(cc2)OCCOc2ccc(cc2)[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 C26H21N3O7 MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O7/c1-17-3-2-4-20(15-17)28-25(31)23(24(30)27-26(28)32)16-18-5-9-21(10-6-18)35-13-14-36-22-11-7-19(8-12-22)29(33)34/h2-12,15-16H,13-14H2,1H3,(H,27,30,32)/b23-16-InChIKey
LKSYYEMDAMMJDW-KQWNVCNZSA-NSynonyms
(5Z)1(3METHYLPHENYL)5((4(2(4NITROPHENOXY)ETHOXY)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3METHYLPHENYL)5(4(2(4NITROPHENOXY)ETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCCOC4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=O
Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OCCOc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC26H21N3O7c11732420(1517)2825(31)23(24(30)2726(28)32)16185921(10618)351314362211719(81222)29(33)34h2121516H1314H21H3(H273032)b2316
MFCD01873582
STK020117
ZINC000009057111
ZINC09057111
ZINC9057111
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