Vitas-M small molecule compound
diethyl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK800670
SMILES CCCSc1ccc(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 C31H35N3O4S MW 545.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O4S/c1-6-18-39-24-16-14-22(15-17-24)29-25(19-34(33-29)23-12-10-9-11-13-23)28-26(30(35)37-7-2)20(4)32-21(5)27(28)31(36)38-8-3/h9-17,19,28,32H,6-8,18H2,1-5H3InChIKey
BOQKSDHLLCJGHK-UHFFFAOYSA-NSynonyms
CCCSC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC)C)C)C(=O)OCC)C4=CC=CC=C4
diethyl26dimethyl4(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIETHYL26DIMETHYL4(1PHENYL3(4PROPYLSULFANYLPHENYL)PYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC31H35N3O4Sc16183924161422(151724)2925(1934(3329)2312109111323)2826(30(35)3772)20(4)3221(5)27(28)31(36)3883h917192832H6818H215H3
MFCD06314305
ZINC000098046717
ZINC98046717
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