Vitas-M small molecule compound
(5Z)-1-(4-methylphenyl)-5-{2-[2-(4-nitrophenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK078544
SMILES Cc1ccc(cc1)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/c1-17-6-8-19(9-7-17)28-25(31)22(24(30)27-26(28)32)16-18-4-2-3-5-23(18)36-15-14-35-21-12-10-20(11-13-21)29(33)34/h2-13,16H,14-15H2,1H3,(H,27,30,32)/b22-16-InChIKey
QLKYPFPLYJSSND-JWGURIENSA-NSynonyms
(5Z)1(4METHYLPHENYL)5((2(2(4NITROPHENOXY)ETHOXY)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(4METHYLPHENYL)5(2(2(4NITROPHENOXY)ETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCCOC4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccccc2OCCOc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC26H21N3O7c1176819(9717)2825(31)22(24(30)2726(28)32)1618423523(18)3615143521121020(111321)29(33)34h21316H1415H21H3(H273032)b2216
MFCD01873560
STK078544
ZINC000009660033
ZINC09660033
ZINC9660033
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