Vitas-M small molecule compound

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

Catalog ID
STK316183
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CSc1ccccn1)OC)C(=O)CC(C2)(C)C)c1cc(ccc1C)[N+](=O)[O-]

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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 C32H31N5O4S MW 581.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O4S/c1-19-8-10-22(37(39)40)14-24(19)36-25-15-32(2,3)16-26(38)30(25)29(23(17-33)31(36)34)20-9-11-27(41-4)21(13-20)18-42-28-7-5-6-12-35-28/h5-14,29H,15-16,18,34H2,1-4H3
InChIKey
SDJUJKXGVFUDMQ-UHFFFAOYSA-N
Synonyms
444925-77-3
2amino4(4methoxy3((pyridin2ylsulfanyl)methyl)phenyl)77dimethyl1(2methyl5nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4METHOXY3(PYRIDIN2YLSULFANYLMETHYL)PHENYL)77DIMETHYL1(2METHYL5NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444925773
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)CSC5=CC=CC=N5)C(=O)CC(C3)(C)C
InChI=1SC32H31N5O4Sc11981022(37(39)40)1424(19)36251532(23)1626(38)30(25)29(23(1733)31(36)34)2091127(414)21(1320)184228756123528h51429H15161834H214H3
MFCD02606268
N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CSc1ccccn1)OC)C(=O)CC(C2)(C)C)c1cc(ccc1C)(N+)(=O)(O)
ZINC000002089708
ZINC000008455990

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Available files

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