Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-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
STK170499
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc2c(c1)cccn2)C)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 C36H34N4O3 MW 570.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N4O3/c1-21-12-27(22(2)39(21)30-9-10-32-26(16-30)4-3-11-37-32)17-31-33(41)38-35(43)40(34(31)42)29-7-5-28(6-8-29)36-18-23-13-24(19-36)15-25(14-23)20-36/h3-12,16-17,23-25H,13-15,18-20H2,1-2H3,(H,38,41,43)/b31-17-InChIKey
BWFPWCOLEBKVDW-LJUMEUDFSA-NSynonyms
(5Z)1(4(1adamantyl)phenyl)5((25dimethyl1quinolin6ylpyrrol3yl)methylidene)13diazinane246trione
(5Z)5((25dimethyl1(quinolin6yl)1Hpyrrol3yl)methylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)C=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)C67CC8CC(C6)CC(C8)C7
InChI=1SC36H34N4O3c1211227(22(2)39(21)309103226(1630)43113732)173133(41)3835(43)40(34(31)42)297528(6829)3618231324(1936)1525(1423)2036h31216172325H13151820H212H3(H384143)b3117
MFCD03167275
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1ccc2c(c1)cccn2)C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
ZINC000097960549
ZINC97960549
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.