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-phenylpropanoate
Catalog ID
STL544017
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-25(2)12-11-18-13-16(9-10-21(18)31-25)14-20-23(24(29)27-26-20)19(15-22(28)30-3)17-7-5-4-6-8-17/h4-10,13,19H,11-12,14-15H2,1-3H3,(H2,26,27,29)InChIKey
XRCSMMGKXIHEGD-UHFFFAOYSA-NSynonyms
1630873-67-41630873674
91638552
InChI=1SC25H28N2O4c125(2)1211181316(91021(18)3125)142023(24(29)272620)19(1522(28)303)177546817h4101319H11121415H213H3(H2262729)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3phenylpropanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3phenylpropanoate
METHYL3(5((22DIMETHYLCHROMAN6YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)3PHENYLPROPANOATE
MFCD31755964
ZINC000217912174
ZINC000217912232
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