Vitas-M small molecule compound
2-{5-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzonitrile
Catalog ID
STL369380
SMILES N#Cc1ccccc1c1ccc(o1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
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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 C28H17N3O3S MW 475.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H17N3O3S/c29-18-19-9-7-8-14-23(19)25-16-15-22(34-25)17-24-26(32)30(20-10-3-1-4-11-20)28(35)31(27(24)33)21-12-5-2-6-13-21/h1-17HInChIKey
BOVCHEPWFHIQSE-UHFFFAOYSA-NSynonyms
2(5((46DIOXO13DIPHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZONITRILE
2(5((46DIOXO13DIPHENYL2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)BENZONITRILE
2(5((46dioxo13diphenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzonitrile
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4C#N)C(=O)N(C2=S)C5=CC=CC=C5
InChI=1SC28H17N3O3Sc2918199781423(19)25161522(3425)172426(32)30(20103141120)28(35)31(27(24)33)21125261321h117H
MFCD03269868
N#Cc1ccccc1c1ccc(o1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
ZINC000000660240
ZINC00660240
ZINC660240
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