Vitas-M small molecule compound
4-({4-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK612340
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/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/c1-27-16-9-12(8-14-17(23)21-20(29)22-18(14)24)4-7-15(16)28-10-11-2-5-13(6-3-11)19(25)26/h2-9H,10H2,1H3,(H,25,26)(H2,21,22,23,24,29)InChIKey
WZGAXPOXSGYWDY-UHFFFAOYSA-NSynonyms
4((4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((Z)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=NC(=NC1=O)S)O
MFCD08731435
ZINC000004812572
ZINC4812572
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