Vitas-M small molecule compound

4-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide

Catalog ID
STK761308
SMILES N#CC1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2

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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 C22H19N5O5S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5S/c23-12-17-20(13-4-6-15(7-5-13)27(29)30)21-18(2-1-3-19(21)28)26(22(17)24)14-8-10-16(11-9-14)33(25,31)32/h4-11,20H,1-3,24H2,(H2,25,31,32)
InChIKey
ZYWCSDRZSNQBDY-UHFFFAOYSA-N
Synonyms

4(2amino3cyano4(4nitrophenyl)5oxo4678tetrahydroquinolin1yl)benzenesulfonamide
4(2amino3cyano4(4nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)benzenesulfonamide
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC22H19N5O5Sc23121720(134615(7513)27(29)30)2118(21319(21)28)26(22(17)24)1481016(11914)33(2531)32h41120H1324H2(H2253132)
MFCD01821043
N#CC1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2
ZINC000003669887
ZINC000003669888

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Available files

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