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-6-yl)propanoate
Catalog ID
STL421807
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc2c(c1)nccn2
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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)9-8-18-12-16(4-7-23(18)35-27)13-22-25(26(33)31-30-22)19(15-24(32)34-3)17-5-6-20-21(14-17)29-11-10-28-20/h4-7,10-12,14,19H,8-9,13,15H2,1-3H3,(H2,30,31,33)InChIKey
NLWFDAXZEXDGNN-UHFFFAOYSA-NSynonyms
1630903-21-71630903217
CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(=O)NN3)C(CC(=O)OC)C4=CC5=NC=CN=C5C=C4)C
COC(=O)CC(c1c((nH)nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1ccc2c(c1)nccn2
InChI=1SC27H28N4O4c127(2)98181216(4723(18)3527)132225(26(33)313022)19(1524(32)343)17562021(1417)2911102820h4710121419H891315H213H3(H2303133)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3quinoxalin6ylpropanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(quinoxalin6yl)propanoate
MFCD30707758
ZINC000218129110
ZINC000218129197
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