Vitas-M small molecule compound
(5Z)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190186
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)N2CCCCCC2)/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 C23H25N3O3S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S/c1-15-11-16(2)13-17(12-15)26-22(28)19(21(27)24-23(26)30)14-18-7-8-20(29-18)25-9-5-3-4-6-10-25/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,24,27,30)/b19-14-InChIKey
XEEDAYRAAFLNRF-RGEXLXHISA-NSynonyms
(5Z)5((5(AZEPAN1YL)FURAN2YL)METHYLIDENE)1(35DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((5(AZEPAN1YL)FURAN2YL)METHYLIDENE)1(35DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCCCC4)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)N2CCCCCC2)C1=O
InChI=1SC23H25N3O3Sc1151116(2)1317(1215)2622(28)19(21(27)2423(26)30)14187820(2918)25953461025h781114H36910H212H3(H242730)b1914
MFCD06666522
ZINC000004724067
ZINC04724067
ZINC4724067
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