Vitas-M small molecule compound
3-{(Z)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl 4-chlorobenzoate
Catalog ID
STK154001
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccc(c2)OC(=O)c2ccc(cc2)Cl)/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 C26H19ClN2O5 MW 474.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O5/c1-2-16-6-12-20(13-7-16)29-24(31)22(23(30)28-26(29)33)15-17-4-3-5-21(14-17)34-25(32)18-8-10-19(27)11-9-18/h3-15H,2H2,1H3,(H,28,30,33)/b22-15-InChIKey
RRXYQBZWTATSBM-JCMHNJIXSA-NSynonyms
(3((Z)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
3((Z)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4CHLOROBENZOATE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cccc(c2)OC(=O)c2ccc(cc2)Cl)C1=O
InChI=1SC26H19ClN2O5c121661220(13716)2924(31)22(23(30)2826(29)33)151743521(1417)3425(32)1881019(27)11918h315H2H21H3(H283033)b2215
MFCD08673226
ZINC000013881263
ZINC13881263
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