Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]methylidene}-1-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK380938
SMILES Cc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2c(C)nn(c2C)Cc2ccccc2Cl)/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 C24H21ClN4O2S MW 464.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O2S/c1-14-8-10-18(11-9-14)29-23(31)20(22(30)26-24(29)32)12-19-15(2)27-28(16(19)3)13-17-6-4-5-7-21(17)25/h4-12H,13H2,1-3H3,(H,26,30,32)/b20-12+InChIKey
WYMFCGHELFTUCE-UDWIEESQSA-NSynonyms
(5E)5((1((2chlorophenyl)methyl)35dimethylpyrazol4yl)methylidene)1(4methylphenyl)2sulfanylidene13diazinane46dione
(5E)5((1(2chlorobenzyl)35dimethyl1Hpyrazol4yl)methylidene)1(4methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(N=C3C)CC4=CC=CC=C4Cl)C)C(=O)NC2=S
Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2c(C)nn(c2C)Cc2ccccc2Cl)C1=O
InChI=1SC24H21ClN4O2Sc11481018(11914)2923(31)20(22(30)2624(29)32)121915(2)2728(16(19)3)1317645721(17)25h412H13H213H3(H263032)b2012+
MFCD02603047
ZINC000008721673
ZINC08721673
ZINC8721673
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