Vitas-M small molecule compound
diethyl 4-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK800673
SMILES CCCCSc1ccc(cc1)c1nn(cc1C1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC)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 C32H37N3O4S MW 559.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O4S/c1-6-9-19-40-25-17-15-23(16-18-25)30-26(20-35(34-30)24-13-11-10-12-14-24)29-27(31(36)38-7-2)21(4)33-22(5)28(29)32(37)39-8-3/h10-18,20,29,33H,6-9,19H2,1-5H3InChIKey
OPVZPHWNEOMEKU-UHFFFAOYSA-NSynonyms
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC)C)C)C(=O)OCC)C4=CC=CC=C4
diethyl4(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)26dimethyl14dihydropyridine35dicarboxylate
DIETHYL4(3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)26DIMETHYL14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC32H37N3O4Sc169194025171523(161825)3026(2035(3430)24131110121424)2927(31(36)3872)21(4)3322(5)28(29)32(37)3983h1018202933H6919H215H3
MFCD06314310
ZINC000098045743
ZINC98045743
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