Vitas-M small molecule compound

propyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402517
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)Cl

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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 C27H25ClN2O7 MW 524.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O7/c1-3-8-35-27(32)24-14(2)29-19-9-16(15-4-6-17(28)7-5-15)10-21(31)26(19)25(24)18-11-22-23(37-13-36-22)12-20(18)30(33)34/h4-7,11-12,16,25,29H,3,8-10,13H2,1-2H3
InChIKey
LFXSNJLWQWCDRC-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)Cl
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
InChI=1SC27H25ClN2O7c1383527(32)2414(2)2919916(154617(28)7515)1021(31)26(19)25(24)18112223(37133622)1220(18)30(33)34h471112162529H381013H212H3
MFCD01824386
propyl7(4chlorophenyl)2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
propyl7(4chlorophenyl)2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002925195
ZINC000002925210

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Available files

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