Vitas-M small molecule compound
4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Catalog ID
STK003160
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1)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 C18H14N2O6S2 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6S2/c1-25-15-10-11(9-13-16(21)19-18(27)20-17(13)22)7-8-14(15)26-28(23,24)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,27)InChIKey
WRZAEHAIMPRICA-UHFFFAOYSA-NSynonyms
(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)BENZENESULFONATE
4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENYLBENZENESULFONATE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OS(=O)(=O)C3=CC=CC=C3
COc1cc(ccc1OS(=O)(=O)c1ccccc1)C=C1C(=O)NC(=S)NC1=O
InChI=1SC18H14N2O6S2c125151011(91316(21)1918(27)2017(13)22)7814(15)2628(2324)125324612h210H1H3(H21920212227)
MFCD02017612
STK003160
ZINC000002948024
ZINC02948024
ZINC2948024
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