Vitas-M small molecule compound
(5Z)-1-(3-methylphenyl)-5-{2-[2-(4-nitrophenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK090002
SMILES Cc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2ccccc2OCCOc2ccc(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/c1-17-5-4-7-20(15-17)28-25(31)22(24(30)27-26(28)32)16-18-6-2-3-8-23(18)36-14-13-35-21-11-9-19(10-12-21)29(33)34/h2-12,15-16H,13-14H2,1H3,(H,27,30,32)/b22-16-InChIKey
QJPWTVWQSCXUCI-JWGURIENSA-NSynonyms
(5Z)1(3METHYLPHENYL)5((2(2(4NITROPHENOXY)ETHOXY)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3METHYLPHENYL)5(2(2(4NITROPHENOXY)ETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=CC=C3OCCOC4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=O
Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccccc2OCCOc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC26H21N3O7c11754720(1517)2825(31)22(24(30)2726(28)32)1618623823(18)361413352111919(101221)29(33)34h2121516H1314H21H3(H273032)b2216
MFCD01873564
STK090002
ZINC000009730910
ZINC09730910
ZINC9730910
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