Vitas-M small molecule compound
(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(2-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170496
SMILES CCc1ccccc1N1C(=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 C23H16BrClN2O4S MW 531.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrClN2O4S/c1-2-13-5-3-4-6-19(13)27-21(29)17(20(28)26-23(27)30)11-15-12-18(24)22(31-15)32-16-9-7-14(25)8-10-16/h3-12H,2H2,1H3,(H,26,28,30)/b17-11-InChIKey
HNBANFFCKHJOHK-BOPFTXTBSA-NSynonyms
(5Z)5((4BROMO5((4CHLOROPHENYL)SULFANYL)FURAN2YL)METHYLIDENE)1(2ETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)5((4BROMO5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)1(2ETHYLPHENYL)13DIAZINANE246TRIONE
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C(=O)NC2=O
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2oc(c(c2)Br)Sc2ccc(cc2)Cl)C1=O
InChI=1SC23H16BrClN2O4Sc1213534619(13)2721(29)17(20(28)2623(27)30)11151218(24)22(3115)32169714(25)81016h312H2H21H3(H262830)b1711
MFCD03226666
ZINC000097960546
ZINC97960546
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