Vitas-M small molecule compound
4-(1-{5-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-hydroxy-1H-pyrazol-4-yl}-3-methoxy-3-oxopropyl)benzoic acid
Catalog ID
STL543822
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc(cc1)C(=O)O
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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 C26H28N2O6 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O6/c1-26(2)11-10-18-12-15(4-9-21(18)34-26)13-20-23(24(30)28-27-20)19(14-22(29)33-3)16-5-7-17(8-6-16)25(31)32/h4-9,12,19H,10-11,13-14H2,1-3H3,(H,31,32)(H2,27,28,30)InChIKey
ROGWKGUPQWYBGT-UHFFFAOYSA-NSynonyms
1630864-55-91630864559
4(1(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3methoxy3oxopropyl)benzoicacid
4(1(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3methoxy3oxopropyl)benzoicacid
4(1(5((22DIMETHYLCHROMAN6YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)3METHOXY3OXOPROPYL)BENZOICACID
91638423
InChI=1SC26H28N2O6c126(2)1110181215(4921(18)3426)132023(24(30)282720)19(1422(29)333)165717(8616)25(31)32h491219H10111314H213H3(H3132)(H2272830)
MFCD31755919
ZINC000217894405
ZINC000217894495
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