Vitas-M small molecule compound
4-methoxybenzyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK038301
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CC(C2)(C)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 C27H27ClN2O6 MW 510.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O6/c1-15-23(26(32)36-14-16-5-8-18(35-4)9-6-16)24(19-11-17(30(33)34)7-10-20(19)28)25-21(29-15)12-27(2,3)13-22(25)31/h5-11,24,29H,12-14H2,1-4H3InChIKey
NQXVDAUQUDEQGR-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(2chloro5nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(2chloro5nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC27H27ClN2O6c11523(26(32)3614165818(354)9616)24(191117(30(33)34)71020(19)28)2521(2915)1227(23)1322(25)31h5112429H1214H214H3
MFCD02188058
STK038301
ZINC000001213223
ZINC000001213227
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