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-(2-hydroxyquinolin-3-yl)propanoate
Catalog ID
STL543543
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1cc2ccccc2nc1O
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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 C28H29N3O5 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5/c1-28(2)11-10-18-12-16(8-9-23(18)36-28)13-22-25(27(34)31-30-22)19(15-24(32)35-3)20-14-17-6-4-5-7-21(17)29-26(20)33/h4-9,12,14,19H,10-11,13,15H2,1-3H3,(H,29,33)(H2,30,31,34)InChIKey
NBKWJLHZENGXDA-UHFFFAOYSA-NSynonyms
1630837-10-31630837103
91638171
InChI=1SC28H29N3O5c128(2)1110181216(8923(18)3628)132225(27(34)313022)19(1524(32)353)201417645721(17)2926(20)33h49121419H10111315H213H3(H2933)(H2303134)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3(2oxo1~(H)quinolin3yl)propanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(2hydroxyquinolin3yl)propanoate
METHYL3(5((22DIMETHYLCHROMAN6YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)3(2OXO12DIHYDROQUINOLIN3YL)PROPANOATE
MFCD31755869
ZINC000217856762
ZINC000217856835
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