Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2,5-diethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL388608
SMILES CCOc1ccc(cc1N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)OCC
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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 C27H26ClN3O5 MW 507.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O5/c1-5-35-21-11-12-24(36-6-2)23(15-21)31-26(33)22(25(32)29-27(31)34)14-18-13-16(3)30(17(18)4)20-9-7-19(28)8-10-20/h7-15H,5-6H2,1-4H3,(H,29,32,34)/b22-14-InChIKey
AUQOKYPQLTUMTG-HMAPJEAMSA-NSynonyms
(5Z)5((1(4chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)1(25diethoxyphenyl)pyrimidine246(1H3H5H)trione
(5Z)5((1(4chlorophenyl)25dimethylpyrrol3yl)methylidene)1(25diethoxyphenyl)13diazinane246trione
CCOC1=CC(=C(C=C1)OCC)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C)C(=O)NC2=O
CCOc1ccc(cc1N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Cl)C)C1=O)OCC
InChI=1SC27H26ClN3O5c153521111224(3662)23(1521)3126(33)22(25(32)2927(31)34)14181316(3)30(17(18)4)209719(28)81020h715H56H214H3(H293234)b2214
MFCD02772070
ZINC000059104200
ZINC59104200
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