Vitas-M small molecule compound
(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187995
SMILES Clc1ccc(cc1)Sc1oc(cc1Br)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C21H12BrClN2O3S2 MW 519.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrClN2O3S2/c22-17-11-14(28-20(17)30-15-8-6-12(23)7-9-15)10-16-18(26)24-21(29)25(19(16)27)13-4-2-1-3-5-13/h1-11H,(H,24,26,29)/b16-10-InChIKey
SZWLOQJSELMLAT-YBEGLDIGSA-NSynonyms
(5Z)5((4BROMO5((4CHLOROPHENYL)SULFANYL)FURAN2YL)METHYLIDENE)1PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((4BROMO5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
5((4BROMO5(4CHLOROPHENYLTHIO)(2FURYL))METHYLENE)1PHENYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C(=O)NC2=S
Clc1ccc(cc1)Sc1oc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
InChI=1SC21H12BrClN2O3S2c22171114(2820(17)30158612(23)7915)101618(26)2421(29)25(19(16)27)134213513h111H(H242629)b1610
MFCD03102987
ZINC000097960903
ZINC97960903
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