Vitas-M small molecule compound
(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170493
SMILES Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2oc(c(c2)Br)Sc2ccc(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 C22H14BrClN2O4S MW 517.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrClN2O4S/c1-12-2-6-14(7-3-12)26-20(28)17(19(27)25-22(26)29)10-15-11-18(23)21(30-15)31-16-8-4-13(24)5-9-16/h2-11H,1H3,(H,25,27,29)/b17-10-InChIKey
LVEOARJXJGPXKF-YVLHZVERSA-NSynonyms
(5Z)5((4BROMO5((4CHLOROPHENYL)SULFANYL)FURAN2YL)METHYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)5((4BROMO5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2oc(c(c2)Br)Sc2ccc(cc2)Cl)C1=O
InChI=1SC22H14BrClN2O4Sc1122614(7312)2620(28)17(19(27)2522(26)29)10151118(23)21(3015)31168413(24)5916h211H1H3(H252729)b1710
MFCD03226696
ZINC000097960543
ZINC97960543
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