Vitas-M small molecule compound
2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363774
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OCCc1ccccc1)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 C32H30N2O6 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O6/c1-20-29(32(36)40-16-15-21-7-4-3-5-8-21)30(23-9-6-10-25(17-23)34(37)38)31-27(33-20)18-24(19-28(31)35)22-11-13-26(39-2)14-12-22/h3-14,17,24,30,33H,15-16,18-19H2,1-2H3InChIKey
JGPIOYZQRYJONS-UHFFFAOYSA-NSynonyms
2phenylethyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OCCc1ccccc1)C
InChI=1SC32H30N2O6c12029(32(36)401615217435821)30(23961025(1723)34(37)38)3127(3320)1824(1928(31)35)22111326(392)141222h31417243033H15161819H212H3
MFCD01823607
ZINC000033358370
ZINC000033358373
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