Vitas-M small molecule compound
(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170494
SMILES Clc1ccc(cc1)Sc1oc(cc1Br)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C21H11BrCl2N2O4S MW 538.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11BrCl2N2O4S/c22-17-10-14(30-20(17)31-15-7-3-12(24)4-8-15)9-16-18(27)25-21(29)26(19(16)28)13-5-1-11(23)2-6-13/h1-10H,(H,25,27,29)/b16-9-InChIKey
TUPHHVJZWJBADF-SXGWCWSVSA-NSynonyms
(5Z)5((4BROMO5((4CHLOROPHENYL)SULFANYL)FURAN2YL)METHYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)5((4BROMO5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)1(4CHLOROPHENYL)13DIAZINANE246TRIONE
C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C(=O)NC2=O)Cl
Clc1ccc(cc1)Sc1oc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC21H11BrCl2N2O4Sc22171014(3020(17)31157312(24)4815)91618(27)2521(29)26(19(16)28)135111(23)2613h110H(H252729)b169
MFCD03226565
ZINC000097960544
ZINC97960544
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