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-8-yl)propanoate
Catalog ID
STL425244
SMILES COC(=O)CC(c1cccc2c1nccc2)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)12-11-19-14-17(9-10-23(19)35-28)15-22-25(27(33)31-30-22)21(16-24(32)34-3)20-8-4-6-18-7-5-13-29-26(18)20/h4-10,13-14,21H,11-12,15-16H2,1-3H3,(H2,30,31,33)InChIKey
XNMDGVHKOKGGOR-UHFFFAOYSA-NSynonyms
1630903-05-71630903057
CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(=O)NN3)C(CC(=O)OC)C4=CC=CC5=C4N=CC=C5)C
COC(=O)CC(c1cccc2c1nccc2)c1c((nH)nc1O)Cc1ccc2c(c1)CCC(O2)(C)C
InChI=1SC28H29N3O4c128(2)1211191417(91023(19)3528)152225(27(33)313022)21(1624(32)343)208461875132926(18)20h410131421H11121516H213H3(H2303133)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3quinolin8ylpropanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(quinolin8yl)propanoate
MFCD30709858
ZINC000218426543
ZINC000218426643
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