Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK316564
SMILES N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)[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 C32H31N5O5 MW 565.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O5/c1-19-12-23(8-9-25(19)37(39)40)42-18-21-13-20(7-10-28(21)41-4)29-24(16-33)31(34)36(22-6-5-11-35-17-22)26-14-32(2,3)15-27(38)30(26)29/h5-13,17,29H,14-15,18,34H2,1-4H3InChIKey
BHRRQOXIUCRGRU-UHFFFAOYSA-NSynonyms
444933-61-32amino4(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)77dimethyl5oxo1(pyridin3yl)145678hexahydroquinoline3carbonitrile
2AMINO4(4METHOXY3((3METHYL4NITROPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO1PYRIDIN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
444933613
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CN=CC=C5)N)C#N)OC)(N+)(=O)(O)
InChI=1SC32H31N5O5c1191223(8925(19)37(39)40)4218211320(71028(21)414)2924(1633)31(34)36(226511351722)261432(23)1527(38)30(26)29h5131729H14151834H214H3
MFCD03071234
N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
ZINC000000673431
ZINC000000673434
Check stock
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Check stock on Vitas-MAvailable files
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