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-(quinoxalin-5-yl)propanoate
Catalog ID
STL423607
SMILES COC(=O)CC(c1cccc2c1nccn2)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 C27H28N4O4 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4/c1-27(2)10-9-17-13-16(7-8-22(17)35-27)14-21-24(26(33)31-30-21)19(15-23(32)34-3)18-5-4-6-20-25(18)29-12-11-28-20/h4-8,11-13,19H,9-10,14-15H2,1-3H3,(H2,30,31,33)InChIKey
HEGFTOKKUSYVOJ-UHFFFAOYSA-NSynonyms
1630857-58-71630857587
CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(=O)NN3)C(CC(=O)OC)C4=C5C(=CC=C4)N=CC=N5)C
COC(=O)CC(c1cccc2c1nccn2)c1c((nH)nc1O)Cc1ccc2c(c1)CCC(O2)(C)C
InChI=1SC27H28N4O4c127(2)109171316(7822(17)3527)142124(26(33)313021)19(1523(32)343)185462025(18)2912112820h48111319H9101415H213H3(H2303133)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3quinoxalin5ylpropanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(quinoxalin5yl)propanoate
MFCD30708874
ZINC000218370291
ZINC000218370366
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