Vitas-M small molecule compound

2-amino-4-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STL174355
SMILES COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)[N+](=O)[O-])C#N

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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 C32H29N5O7 MW 595.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O7/c1-32(2)15-26-30(27(38)16-32)29(25(17-33)31(34)35(26)21-5-7-22(8-6-21)36(39)40)19-4-13-28(43-3)20(14-19)18-44-24-11-9-23(10-12-24)37(41)42/h4-14,29H,15-16,18,34H2,1-3H3
InChIKey
OLIBVAHFLOSJFA-UHFFFAOYSA-N
Synonyms
444934-28-5
2amino4(4methoxy3((4nitrophenoxy)methyl)phenyl)77dimethyl1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4METHOXY3((4NITROPHENOXY)METHYL)PHENYL)77DIMETHYL1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444934285
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)(N+)(=O)(O))C(=O)C1)C
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC32H29N5O7c132(2)152630(27(38)1632)29(25(1733)31(34)35(26)215722(8621)36(39)40)1941328(433)20(1419)18442411923(101224)37(41)42h41429H15161834H213H3
MFCD02607001
ZINC000103253712
ZINC000103253715

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Available files

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