Vitas-M small molecule compound
(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK200987
SMILES Clc1ccc(cc1)n1cccc1/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1C
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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/c1-14-5-2-3-7-19(14)26-21(28)18(20(27)24-22(26)29)13-17-6-4-12-25(17)16-10-8-15(23)9-11-16/h2-13H,1H3,(H,24,27,29)/b18-13-InChIKey
NZIDSZOAEQUYDR-AQTBWJFISA-NSynonyms
(5Z)5((1(4CHLOROPHENYL)1HPYRROL2YL)METHYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(4CHLOROPHENYL)PYRROL2YL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)C(=O)NC2=S
Clc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1C
InChI=1SC22H16ClN3O2Sc114523719(14)2621(28)18(20(27)2422(26)29)1317641225(17)1610815(23)91116h213H1H3(H242729)b1813
MFCD03199034
ZINC000100221797
ZINC100221797
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