Vitas-M small molecule compound
methyl 3-(2H-chromen-3-yl)-3-{5-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-hydroxy-1H-pyrazol-4-yl}propanoate
Catalog ID
STL542889
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)C1=Cc2c(OC1)cccc2
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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 C28H30N2O5 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5/c1-28(2)11-10-19-12-17(8-9-24(19)35-28)13-22-26(27(32)30-29-22)21(15-25(31)33-3)20-14-18-6-4-5-7-23(18)34-16-20/h4-9,12,14,21H,10-11,13,15-16H2,1-3H3,(H2,29,30,32)InChIKey
JJZDEILNQUGGRY-UHFFFAOYSA-NSynonyms
1630852-75-31630852753
91637580
InChI=1SC28H30N2O5c128(2)1110191217(8924(19)3528)132226(27(32)302922)21(1525(31)333)201418645723(18)341620h49121421H1011131516H213H3(H2293032)
methyl3(2~(H)chromen3yl)3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)propanoate
methyl3(2Hchromen3yl)3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)propanoate
METHYL3(2HCHROMEN3YL)3(5((22DIMETHYLCHROMAN6YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)PROPANOATE
MFCD31755731
ZINC000217769194
ZINC000217769284
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