Vitas-M small molecule compound
methyl 4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173063
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)[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 C28H30N2O7 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O7/c1-16-24(27(32)36-5)25(26-20(29-16)13-28(2,3)14-21(26)31)18-8-11-22(23(12-18)35-4)37-15-17-6-9-19(10-7-17)30(33)34/h6-12,25,29H,13-15H2,1-5H3InChIKey
RIAVRDWCKBZWMS-UHFFFAOYSA-NSynonyms
397875-02-4397875024
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC28H30N2O7c11624(27(32)365)25(2620(2916)1328(23)1421(26)31)1881122(23(1218)354)3715176919(10717)30(33)34h6122529H1315H215H3
methyl4(3methoxy4((4nitrobenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4((4nitrophenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175002
ZINC000000654757
ZINC000000654761
Check stock
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