Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192736
SMILES Cc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cccn2c2ccc(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 C22H16ClN3O2S MW 421.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O2S/c1-14-4-8-17(9-5-14)26-21(28)19(20(27)24-22(26)29)13-18-3-2-12-25(18)16-10-6-15(23)7-11-16/h2-13H,1H3,(H,24,27,29)/b19-13-InChIKey
RYUDHCXEPBULBB-UYRXBGFRSA-NSynonyms
(5Z)5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLIDENE)1(4METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(4CHLOROPHENYL)PYRROL2YL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)C(=O)NC2=S
Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)Cl)C1=O
InChI=1SC22H16ClN3O2Sc1144817(9514)2621(28)19(20(27)2422(26)29)1318321225(18)1610615(23)71116h213H1H3(H242729)b1913
MFCD02624409
ZINC000006431644
ZINC06431644
ZINC6431644
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