Vitas-M small molecule compound
(5E)-1-cyclohexyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK564483
SMILES O=C1N=C(S)N(C(=O)/C/1=C/Nc1c(=O)n(n(c1C)C)c1ccccc1)C1CCCCC1
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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 C22H25N5O3S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O3S/c1-14-18(21(30)27(25(14)2)16-11-7-4-8-12-16)23-13-17-19(28)24-22(31)26(20(17)29)15-9-5-3-6-10-15/h4,7-8,11-13,15,23H,3,5-6,9-10H2,1-2H3,(H,24,28,31)/b17-13+InChIKey
GIYOZUITKLQMNY-GHRIWEEISA-NSynonyms
(5E)1cyclohexyl5(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1CYCLOHEXYL5(((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)NC(=S)N(C3=O)C4CCCCC4
InChI=1SC22H25N5O3Sc11418(21(30)27(25(14)2)16117481216)23131719(28)2422(31)26(20(17)29)1595361015h47811131523H356910H212H3(H242831)b1713+
MFCD03796019
ZINC000002240806
ZINC000002240807
ZINC02240807
ZINC2240807
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