Vitas-M small molecule compound
(5E)-5-({1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK048164
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cccn2CCOc2ccc(cc2)Cl)/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 C25H22ClN3O4 MW 463.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O4/c1-2-17-5-9-19(10-6-17)29-24(31)22(23(30)27-25(29)32)16-20-4-3-13-28(20)14-15-33-21-11-7-18(26)8-12-21/h3-13,16H,2,14-15H2,1H3,(H,27,30,32)/b22-16+InChIKey
YDAYPSCWJWRGGU-CJLVFECKSA-NSynonyms
(5E)5((1(2(4CHLOROPHENOXY)ETHYL)1HPYRROL2YL)METHYLIDENE)1(4ETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5((1(2(4CHLOROPHENOXY)ETHYL)PYRROL2YL)METHYLIDENE)1(4ETHYLPHENYL)13DIAZINANE246TRIONE
(Z)5((1(2(4chlorophenoxy)ethyl)1Hpyrrol2yl)methylene)1(4ethylphenyl)pyrimidine246(1H3H5H)trione
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3CCOC4=CC=C(C=C4)Cl)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cccn2CCOc2ccc(cc2)Cl)C1=O
InChI=1SC25H22ClN3O4c12175919(10617)2924(31)22(23(30)2725(29)32)1620431328(20)1415332111718(26)81221h31316H21415H21H3(H273032)b2216+
MFCD08050971
STK048164
ZINC000008768793
ZINC8768793
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