Vitas-M small molecule compound
(5Z)-5-(3,5-dichloro-2-hydroxybenzylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192815
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(Cl)cc(c2O)Cl)/C1=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 C18H12Cl2N2O4S MW 423.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Cl2N2O4S/c1-26-12-4-2-11(3-5-12)22-17(25)13(16(24)21-18(22)27)7-9-6-10(19)8-14(20)15(9)23/h2-8,23H,1H3,(H,21,24,27)/b13-7-InChIKey
QUGPNRJRQMTQLW-QPEQYQDCSA-NSynonyms
(5Z)5((35DICHLORO2HYDROXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(35DICHLORO2HYDROXYBENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)Cl)Cl)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Cl)cc(c2O)Cl)C1=O
InChI=1SC18H12Cl2N2O4Sc126124211(3512)2217(25)13(16(24)2118(22)27)79610(19)814(20)15(9)23h2823H1H3(H212427)b137
MFCD05040970
ZINC000009933371
ZINC09933371
ZINC9933371
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