Vitas-M small molecule compound
(5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK036535
SMILES Brc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C/c2ccc(o2)N2CCCCC2)/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 C21H20BrN3O3S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O3S/c1-13-11-14(22)5-7-17(13)25-20(27)16(19(26)23-21(25)29)12-15-6-8-18(28-15)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,26,29)/b16-12-InChIKey
ZCDALFUIUIVSDG-VBKFSLOCSA-NSynonyms
(5Z)1(4BROMO2METHYLPHENYL)5((5(PIPERIDIN1YL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(4BROMO2METHYLPHENYL)5((5PIPERIDIN1YLFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
Brc1ccc(c(c1)C)N1C(=S)NC(=O)C(=Cc2ccc(o2)N2CCCCC2)C1=O
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)C(=O)NC2=S
InChI=1SC21H20BrN3O3Sc1131114(22)5717(13)2520(27)16(19(26)2321(25)29)12156818(2815)2493241024h581112H24910H21H3(H232629)b1612
MFCD03226624
STK036535
ZINC000006791254
ZINC06791254
ZINC6791254
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