Vitas-M small molecule compound
(5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK201019
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2)O)/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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-29-18-10-6-15(7-11-18)25-21(28)19(20(27)23-22(25)30)13-16-3-2-12-24(16)14-4-8-17(26)9-5-14/h2-13,26H,1H3,(H,23,27,30)/b19-13+InChIKey
FPWBZIDABDJVKR-CPNJWEJPSA-NSynonyms
444763-96-6(5E)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4HYDROXYPHENYL)PYRROL2YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(E)5((1(4hydroxyphenyl)1Hpyrrol2yl)methylene)1(4methoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)O)C1=O
InChI=1SC22H17N3O4Sc1291810615(71118)2521(28)19(20(27)2322(25)30)1316321224(16)144817(26)9514h21326H1H3(H232730)b1913+
MFCD03923238
ZINC2369410
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.