Vitas-M small molecule compound
(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170498
SMILES Clc1ccc(cc1)Sc1oc(cc1Br)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
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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 C31H26BrClN2O4S MW 637.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrClN2O4S/c32-26-13-23(39-29(26)40-24-7-3-21(33)4-8-24)12-25-27(36)34-30(38)35(28(25)37)22-5-1-20(2-6-22)31-14-17-9-18(15-31)11-19(10-17)16-31/h1-8,12-13,17-19H,9-11,14-16H2,(H,34,36,38)/b25-12-InChIKey
CKWMDQTVQKPGEN-ROTLSHHCSA-NSynonyms
(5Z)1(4(1ADAMANTYL)PHENYL)5((4BROMO5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)5((4bromo5((4chlorophenyl)sulfanyl)furan2yl)methylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N5C(=O)C(=CC6=CC(=C(O6)SC7=CC=C(C=C7)Cl)Br)C(=O)NC5=O
Clc1ccc(cc1)Sc1oc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
InChI=1SC31H26BrClN2O4Sc32261323(3929(26)40247321(33)4824)122527(36)3430(38)35(28(25)37)225120(2622)311417918(1531)1119(1017)1631h1812131719H9111416H2(H343638)b2512
MFCD03226594
ZINC000097960548
ZINC97960548
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.