Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK027859
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)(C)C)OCc1ccccc1
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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 C27H26N2O7 MW 490.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7/c1-15-23(26(31)34-13-16-7-5-4-6-8-16)24(25-18(28-15)11-27(2,3)12-20(25)30)17-9-21-22(36-14-35-21)10-19(17)29(32)33/h4-10,24,28H,11-14H2,1-3H3InChIKey
KNCJYEWLYSHVAT-UHFFFAOYSA-NSynonyms
benzyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
benzyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OCC5=CC=CC=C5
InChI=1SC27H26N2O7c11523(26(31)3413167546816)24(2518(2815)1127(23)1220(25)30)1792122(36143521)1019(17)29(32)33h4102428H1114H213H3
MFCD00306355
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C)OCc1ccccc1
STK027859
ZINC000019314648
ZINC000019314651
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