Vitas-M small molecule compound
2-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-6-methoxyphenyl benzenesulfonate
Catalog ID
STL164164
SMILES COc1cccc(c1OS(=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/c1-25-14-9-5-6-11(10-13-16(21)19-18(27)20-17(13)22)15(14)26-28(23,24)12-7-3-2-4-8-12/h2-10H,1H3,(H2,19,20,21,22,27)InChIKey
HZLIYZMSLJPGGI-UHFFFAOYSA-NSynonyms
428445-97-0(2((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)6METHOXYPHENYL)BENZENESULFONATE
2((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)6METHOXYPHENYLBENZENESULFONATE
2((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)6methoxyphenylbenzenesulfonate
428445970
COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=C3C(=O)NC(=S)NC3=O
InChI=1SC18H14N2O6S2c1251495611(101316(21)1918(27)2017(13)22)15(14)2628(2324)127324812h210H1H3(H21920212227)
METHANETHIONE(4(HEXADECYLOXY)3METHOXYPHENYL)1PIPERIDINYL
MFCD02374280
ZINC000002776394
ZINC02776394
ZINC2776394
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