Vitas-M small molecule compound

4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate

Catalog ID
STL164162
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)F)C=C1C(=O)NC(=S)NC1=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 C19H13FN2O5S MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13FN2O5S/c1-26-15-8-10(7-13-16(23)21-19(28)22-17(13)24)5-6-14(15)27-18(25)11-3-2-4-12(20)9-11/h2-9H,1H3,(H2,21,22,23,24,28)
InChIKey
XGSSOHAYWSDJHT-UHFFFAOYSA-N
Synonyms
404025-83-8
(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)3FLUOROBENZOATE
4((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2METHOXYPHENYL3FLUOROBENZOATE
4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenyl3fluorobenzoate
404025838
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC(=CC=C3)F
InChI=1SC19H13FN2O5Sc12615810(71316(23)2119(28)2217(13)24)5614(15)2718(25)1132412(20)911h29H1H3(H22122232428)
MFCD02605363
ZINC000000658124
ZINC00658124
ZINC658124

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Available files

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