Vitas-M small molecule compound
cyclopentyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363637
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)OC1CCCC1
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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 C29H28N2O7 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7/c1-16-26(29(33)38-19-9-5-6-10-19)27(20-13-24-25(37-15-36-24)14-22(20)31(34)35)28-21(30-16)11-18(12-23(28)32)17-7-3-2-4-8-17/h2-4,7-8,13-14,18-19,27,30H,5-6,9-12,15H2,1H3InChIKey
UTTMAJAPPIIIAN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)OC6CCCC6
cyclopentyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl2methyl4(6nitro13benzodioxol5yl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H28N2O7c11626(29(33)38199561019)27(20132425(37153624)1422(20)31(34)35)2821(3016)1118(1223(28)32)177324817h2478131418192730H5691215H21H3
MFCD00771504
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)c1ccccc1)OC1CCCC1
ZINC000019770171
ZINC000019770174
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