Vitas-M small molecule compound
(5E)-3-(3-chloro-4-methoxyphenyl)-6-hydroxy-5-{[1-(naphthalen-1-ylmethyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK614266
SMILES COc1ccc(cc1Cl)N1C(=O)N=C(/C(=C\c2cccn2Cc2cccc3c2cccc3)/C1=O)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 C27H20ClN3O4 MW 485.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O4/c1-35-24-12-11-20(15-23(24)28)31-26(33)22(25(32)29-27(31)34)14-19-9-5-13-30(19)16-18-8-4-7-17-6-2-3-10-21(17)18/h2-15H,16H2,1H3,(H,29,32,34)/b22-14+InChIKey
XFGFRZCWEVXMNT-HYARGMPZSA-NSynonyms
(5E)1(3chloro4methoxyphenyl)5((1(naphthalen1ylmethyl)pyrrol2yl)methylidene)13diazinane246trione
(5E)3(3chloro4methoxyphenyl)6hydroxy5((1(naphthalen1ylmethyl)1Hpyrrol2yl)methylidene)pyrimidine24(3H5H)dione
COc1ccc(cc1Cl)N1C(=O)N=C(C(=Cc2cccn2Cc2cccc3c2cccc3)C1=O)O
InChI=1SC27H20ClN3O4c13524121120(1523(24)28)3126(33)22(25(32)2927(31)34)1419951330(19)1618847176231021(17)18h215H16H21H3(H293234)b2214+
MFCD08730184
ZINC000016038627
ZINC16038627
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