Vitas-M small molecule compound

propyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK373602
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)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 C24H30N2O7 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O7/c1-7-8-33-23(28)20-13(2)25-15-11-24(3,4)12-17(27)22(15)21(20)14-9-18(31-5)19(32-6)10-16(14)26(29)30/h9-10,21,25H,7-8,11-12H2,1-6H3
InChIKey
CUZSMXFQCPEZEU-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC24H30N2O7c1783323(28)2013(2)25151124(34)1217(27)22(15)21(20)14918(315)19(326)1016(14)26(29)30h9102125H781112H216H3
MFCD00785492
propyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000003100928
ZINC000003100929

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Available files

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