Vitas-M small molecule compound
4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821779
SMILES O=C1N(C)C(=O)C(=Cc2ccc(cc2)OC(=O)c2sc3c(c2Cl)c(Cl)ccc3)C(=O)N1C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H14Cl2N2O5S MW 489.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2N2O5S/c1-25-19(27)13(20(28)26(2)22(25)30)10-11-6-8-12(9-7-11)31-21(29)18-17(24)16-14(23)4-3-5-15(16)32-18/h3-10H,1-2H3InChIKey
RXAIFNPWFFNSBL-UHFFFAOYSA-NSynonyms
(4((13dimethyl246trioxo13diazinan5ylidene)methyl)phenyl)34dichloro1benzothiophene2carboxylate
4((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl34dichloro1benzothiophene2carboxylate
CN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl)C(=O)N(C1=O)C
InChI=1SC22H14Cl2N2O5Sc12519(27)13(20(28)26(2)22(25)30)10116812(9711)3121(29)1817(24)1614(23)43515(16)3218h310H12H3
MFCD03463012
ZINC000026965926
ZINC26965926
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