Vitas-M small molecule compound
{4-[(1,3-dibenzyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Catalog ID
STL172425
SMILES N#CCOc1ccc(cc1OC)/C=C/1\C(=O)N(Cc2ccccc2)C(=O)N(C1=O)Cc1ccccc1
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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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c1-35-25-17-22(12-13-24(25)36-15-14-29)16-23-26(32)30(18-20-8-4-2-5-9-20)28(34)31(27(23)33)19-21-10-6-3-7-11-21/h2-13,16-17H,15,18-19H2,1H3InChIKey
WEEWJWAQRAEMJZ-UHFFFAOYSA-NSynonyms
(4((13dibenzyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)acetonitrile
2(4((13dibenzyl246trioxo13diazinan5ylidene)methyl)2methoxyphenoxy)acetonitrile
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)OCC#N
InChI=1SC28H23N3O5c135251722(121324(25)36151429)162326(32)30(18208425920)28(34)31(27(23)33)1921106371121h2131617H151819H21H3
MFCD04047537
N#CCOc1ccc(cc1OC)C=C1C(=O)N(Cc2ccccc2)C(=O)N(C1=O)Cc1ccccc1
ZINC000013915207
ZINC13915207
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