Vitas-M small molecule compound
dimethyl 2,6-dimethyl-4-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK800668
SMILES CCCSc1ccc(cc1)c1nn(cc1C1C(=C(C)NC(=C1C(=O)OC)C)C(=O)OC)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 C29H31N3O4S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c1-6-16-37-22-14-12-20(13-15-22)27-23(17-32(31-27)21-10-8-7-9-11-21)26-24(28(33)35-4)18(2)30-19(3)25(26)29(34)36-5/h7-15,17,26,30H,6,16H2,1-5H3InChIKey
ZESGRBYCSYDICV-UHFFFAOYSA-NSynonyms
CCCSC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC)C4=CC=CC=C4
dimethyl26dimethyl4(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIMETHYL26DIMETHYL4(1PHENYL3(4PROPYLSULFANYLPHENYL)PYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC29H31N3O4Sc16163722141220(131522)2723(1732(3127)21108791121)2624(28(33)354)18(2)3019(3)25(26)29(34)365h715172630H616H215H3
MFCD06314304
ZINC000024147813
ZINC24147813
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