Vitas-M small molecule compound
propan-2-yl 4-{5-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}-3-methylbenzoate
Catalog ID
STL505842
SMILES CC(OC(=O)c1ccc(c(c1)C)c1ccc(o1)C=C1C(=O)NC(=S)NC1=O)C
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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 C20H18N2O5S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S/c1-10(2)26-19(25)12-4-6-14(11(3)8-12)16-7-5-13(27-16)9-15-17(23)21-20(28)22-18(15)24/h4-10H,1-3H3,(H2,21,22,23,24,28)InChIKey
QVZUHMYFOPXTDC-UHFFFAOYSA-NSynonyms
1021296
InChI=1SC20H18N2O5Sc110(2)2619(25)124614(11(3)812)167513(2716)91517(23)2120(28)2218(15)24h410H13H3(H22122232428)
ISOPROPYL4(5((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)3METHYLBENZOATE
MFCD03864734
PROPAN2YL4(5((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOATE
propan2yl4(5((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)3methylbenzoate
ZINC000000686715
ZINC686715
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