Vitas-M small molecule compound

3-({4-[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]-3-methoxyphenoxy}methyl)benzoic acid

Catalog ID
STK560074
SMILES COc1cc(OCc2cccc(c2)C(=O)O)ccc1/C=C/1\C(=NC(=NC1=O)S)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 C20H16N2O6S MW 412.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O6S/c1-27-16-9-14(28-10-11-3-2-4-13(7-11)19(25)26)6-5-12(16)8-15-17(23)21-20(29)22-18(15)24/h2-9H,10H2,1H3,(H,25,26)(H2,21,22,23,24,29)
InChIKey
IWDPIANAZYUKMC-UHFFFAOYSA-N
Synonyms
347397-34-6
3((4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)3METHOXYPHENOXY)METHYL)BENZOICACID
3((4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)3METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)3methoxyphenoxy)methyl)benzoicacid
347397346
COC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)O)C=C3C(=O)NC(=S)NC3=O
COc1cc(OCc2cccc(c2)C(=O)O)ccc1C=C1C(=NC(=NC1=O)S)O
InChI=1SC20H16N2O6Sc12716914(28101132413(711)19(25)26)6512(16)81517(23)2120(29)2218(15)24h29H10H21H3(H2526)(H22122232429)
MFCD04073091
ZINC000001838720
ZINC1838720

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Available files

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