Vitas-M small molecule compound

di-tert-butyl 2,6-dimethyl-4-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK811998
SMILES C=CCOc1ccc(cc1)c1nn(cc1C1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)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 C35H41N3O5 MW 583.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O5/c1-10-20-41-26-18-16-24(17-19-26)31-27(21-38(37-31)25-14-12-11-13-15-25)30-28(32(39)42-34(4,5)6)22(2)36-23(3)29(30)33(40)43-35(7,8)9/h10-19,21,30,36H,1,20H2,2-9H3
InChIKey
ZSMGAXPEWLOZPV-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)C(=O)OC(C)(C)C
ditertbutyl26dimethyl4(1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DITERTBUTYL26DIMETHYL4(1PHENYL3(4PROP2ENOXYPHENYL)PYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC35H41N3O5c110204126181624(171926)3127(2138(3731)25141211131525)3028(32(39)4234(45)6)22(2)3623(3)29(30)33(40)4335(78)9h1019213036H120H229H3
MFCD06264948
ZINC000098046339
ZINC98046339

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Available files

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