Vitas-M small molecule compound
methyl 4-{5-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL418614
SMILES COC(=O)c1ccc(cc1)c1ccc(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 C29H20N2O5S MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N2O5S/c1-35-28(34)20-14-12-19(13-15-20)25-17-16-23(36-25)18-24-26(32)30(21-8-4-2-5-9-21)29(37)31(27(24)33)22-10-6-3-7-11-22/h2-18H,1H3InChIKey
RUZZWVRNEAKMOQ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
InChI=1SC29H20N2O5Sc13528(34)20141219(131520)25171623(3625)182426(32)30(218425921)29(37)31(27(24)33)22106371122h218H1H3
METHYL4(5((46DIOXO13DIPHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
methyl4(5((46dioxo13diphenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
METHYL4(5((46DIOXO13DIPHENYL2THIOXOTETRAHYDROPYRIMIDIN5(6H)YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD02109701
ZINC000001406545
ZINC01406545
ZINC1406545
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