Vitas-M small molecule compound
2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK061091
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1[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 C33H30N2O8 MW 582.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O8/c1-19-30(33(37)41-13-12-20-6-4-3-5-7-20)31(24-16-28-29(43-18-42-28)17-26(24)35(38)39)32-25(34-19)14-22(15-27(32)36)21-8-10-23(40-2)11-9-21/h3-11,16-17,22,31,34H,12-15,18H2,1-2H3InChIKey
GUIXYBMKGOWEGK-UHFFFAOYSA-NSynonyms
2phenylethyl7(4methoxyphenyl)2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4methoxyphenyl)2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)OCCC6=CC=CC=C6
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1(N+)(=O)(O))C(=O)OCCc1ccccc1)C
InChI=1SC33H30N2O8c11930(33(37)411312206435720)31(24162829(43184228)1726(24)35(38)39)3225(3419)1422(1527(32)36)2181023(402)11921h3111617223134H121518H212H3
MFCD01824399
STK061091
ZINC000000801138
ZINC000000801141
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