Vitas-M small molecule compound
(5E)-5-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK027356
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cccn2CCOc2ccc(cc2)C(CC)C)/C1=O
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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 C29H31N3O4 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4/c1-4-20(3)22-10-14-25(15-11-22)36-18-17-31-16-6-7-24(31)19-26-27(33)30-29(35)32(28(26)34)23-12-8-21(5-2)9-13-23/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,30,33,35)/b26-19+InChIKey
ATOKWDIIQZKAIK-LGUFXXKBSA-NSynonyms
(5E)5((1(2(4(BUTAN2YL)PHENOXY)ETHYL)1HPYRROL2YL)METHYLIDENE)1(4ETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5((1(2(4BUTAN2YLPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)1(4ETHYLPHENYL)13DIAZINANE246TRIONE
(Z)5((1(2(4(secbutyl)phenoxy)ethyl)1Hpyrrol2yl)methylene)1(4ethylphenyl)pyrimidine246(1H3H5H)trione
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3CCOC4=CC=C(C=C4)C(C)CC)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cccn2CCOc2ccc(cc2)C(CC)C)C1=O
InChI=1SC29H31N3O4c1420(3)22101425(151122)36181731166724(31)192627(33)3029(35)32(28(26)34)2312821(52)91323h6161920H451718H213H3(H303335)b2619+
MFCD08050128
STK027356
ZINC000013940698
ZINC000013940699
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.