Vitas-M small molecule compound
4-methoxybenzyl 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
STK058674
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[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 C28H28N2O8 MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O8/c1-15-24(27(32)36-13-16-5-7-17(35-4)8-6-16)25(26-19(29-15)11-28(2,3)12-21(26)31)18-9-22-23(38-14-37-22)10-20(18)30(33)34/h5-10,25,29H,11-14H2,1-4H3InChIKey
GVABDHXDNRBRIA-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC28H28N2O8c11524(27(32)3613165717(354)8616)25(2619(2915)1128(23)1221(26)31)1892223(38143722)1020(18)30(33)34h5102529H1114H214H3
MFCD01445708
STK058674
ZINC000001082010
ZINC000001082011
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