Vitas-M small molecule compound
(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197069
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)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 C22H15ClN2O4S MW 438.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4S/c1-28-16-8-6-15(7-9-16)25-21(27)18(20(26)24-22(25)30)12-17-10-11-19(29-17)13-2-4-14(23)5-3-13/h2-12H,1H3,(H,24,26,30)/b18-12-InChIKey
UJGLZKOHYJQTRS-PDGQHHTCSA-NSynonyms
(5Z)5((5(4CHLOROPHENYL)FURAN2YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((5(4CHLOROPHENYL)FURAN2YL)METHYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)Cl)C1=O
InChI=1SC22H15ClN2O4Sc128168615(7916)2521(27)18(20(26)2422(25)30)1217101119(2917)132414(23)5313h212H1H3(H242630)b1812
MFCD02623711
ZINC000006645256
ZINC06645256
ZINC6645256
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