Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-[2-methyl-4-(morpholin-4-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189449
SMILES Clc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(cc2C)N2CCOCC2)/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 C22H20ClN3O3S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S/c1-14-12-18(25-8-10-29-11-9-25)5-2-15(14)13-19-20(27)24-22(30)26(21(19)28)17-6-3-16(23)4-7-17/h2-7,12-13H,8-11H2,1H3,(H,24,27,30)/b19-13+InChIKey
SKDMUFFFHYSVIO-CPNJWEJPSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((2METHYL4MORPHOLIN4YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4CHLOROPHENYL)5(2METHYL4(MORPHOLIN4YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC(=C1)N2CCOCC2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(cc2C)N2CCOCC2)C1=O
InChI=1SC22H20ClN3O3Sc1141218(258102911925)5215(14)131920(27)2422(30)26(21(19)28)176316(23)4717h271213H811H21H3(H242730)b1913+
MFCD03721133
ZINC000001130181
ZINC01130181
ZINC1130181
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