Vitas-M small molecule compound
diethyl 4-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK705114
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1cn(nc1c1ccc(cc1)SCC)c1ccccc1)C(=O)OCC)C
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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 C30H33N3O4S MW 531.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4S/c1-6-36-29(34)25-19(4)31-20(5)26(30(35)37-7-2)27(25)24-18-33(22-12-10-9-11-13-22)32-28(24)21-14-16-23(17-15-21)38-8-3/h9-18,27,31H,6-8H2,1-5H3InChIKey
BJOYBEFDBUZDQP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=CC=C(C=C3)SCC)C4=CC=CC=C4)C(=O)OCC)C)C
diethyl4(3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)26dimethyl14dihydropyridine35dicarboxylate
DIETHYL4(3(4ETHYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)26DIMETHYL14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC30H33N3O4Sc163629(34)2519(4)3120(5)26(30(35)3772)27(25)241833(2212109111322)3228(24)21141623(171521)3883h9182731H68H215H3
MFCD04600864
ZINC000024147079
ZINC24147079
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