Vitas-M small molecule compound
(5Z)-5-{[1-(2-fluorophenyl)-1H-pyrrol-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
STK172519
SMILES O=C1NC(=O)/C(=C/c2cccn2c2ccccc2F)/C(=O)N1c1ccc(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 C31H28FN3O3 MW 509.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O3/c32-26-5-1-2-6-27(26)34-11-3-4-24(34)15-25-28(36)33-30(38)35(29(25)37)23-9-7-22(8-10-23)31-16-19-12-20(17-31)14-21(13-19)18-31/h1-11,15,19-21H,12-14,16-18H2,(H,33,36,38)/b25-15-InChIKey
LNOQJFAVBBOQBZ-MYYYXRDXSA-NSynonyms
(5Z)1(4(1adamantyl)phenyl)5((1(2fluorophenyl)pyrrol2yl)methylidene)13diazinane246trione
(5Z)5((1(2fluorophenyl)1Hpyrrol2yl)methylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N5C(=O)C(=CC6=CC=CN6C7=CC=CC=C7F)C(=O)NC5=O
InChI=1SC31H28FN3O3c3226512627(26)34113424(34)152528(36)3330(38)35(29(25)37)239722(81023)3116191220(1731)1421(1319)1831h111151921H12141618H2(H333638)b2515
MFCD06150714
O=C1NC(=O)C(=Cc2cccn2c2ccccc2F)C(=O)N1c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
ZINC000009265212
ZINC09265212
ZINC9265212
Check stock
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