Vitas-M small molecule compound

methyl 3-{5-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-hydroxy-1H-pyrazol-4-yl}-3-(quinolin-4-yl)propanoate

Catalog ID
STL545699
SMILES COC(=O)CC(c1ccnc2c1cccc2)c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-28(2)12-10-18-14-17(8-9-24(18)35-28)15-23-26(27(33)31-30-23)21(16-25(32)34-3)19-11-13-29-22-7-5-4-6-20(19)22/h4-9,11,13-14,21H,10,12,15-16H2,1-3H3,(H2,30,31,33)
InChIKey
YJUVKQFJZQMWFA-UHFFFAOYSA-N
Synonyms
1630866-89-5
1630866895
91637852
InChI=1SC28H29N3O4c128(2)1210181417(8924(18)3528)152326(27(33)313023)21(1625(32)343)1911132922754620(19)22h4911131421H10121516H213H3(H2303133)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3quinolin4ylpropanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(quinolin4yl)propanoate
METHYL3(5((22DIMETHYLCHROMAN6YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)3(QUINOLIN4YL)PROPANOATE
MFCD31756280
ZINC000217810229
ZINC000217810322

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Available files

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