Vitas-M small molecule compound
(5E)-6-hydroxy-3-(4-methoxybenzyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK587756
SMILES COc1ccc(cc1)CN1C(=O)N=C(/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/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 C27H21N3O4 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4/c1-34-19-13-11-17(12-14-19)16-30-26(32)22(25(31)29-27(30)33)15-21-20-9-5-6-10-23(20)28-24(21)18-7-3-2-4-8-18/h2-15,28H,16H2,1H3,(H,29,31,33)/b22-15+InChIKey
BDBACVMQFUUHHQ-PXLXIMEGSA-NSynonyms
(5E)1((4methoxyphenyl)methyl)5((2phenyl1Hindol3yl)methylidene)13diazinane246trione
(5E)6hydroxy3(4methoxybenzyl)5((2phenyl1Hindol3yl)methylidene)pyrimidine24(3H5H)dione
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)NC2=O
COc1ccc(cc1)CN1C(=O)N=C(C(=Cc2c((nH)c3c2cccc3)c2ccccc2)C1=O)O
InChI=1SC27H21N3O4c13419131117(121419)163026(32)22(25(31)2927(30)33)1521209561023(20)2824(21)187324818h21528H16H21H3(H293133)b2215+
MFCD07199396
ZINC000013512377
ZINC13512377
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