Vitas-M small molecule compound

4-[2-amino-3-cyano-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzenesulfonamide

Catalog ID
STL174253
SMILES N#CC1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(c(c1)COc1ccccc1[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 C32H31N5O7S MW 629.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O7S/c1-32(2)15-25-30(26(38)16-32)29(23(17-33)31(34)36(25)21-9-11-22(12-10-21)45(35,41)42)19-8-13-27(43-3)20(14-19)18-44-28-7-5-4-6-24(28)37(39)40/h4-14,29H,15-16,18,34H2,1-3H3,(H2,35,41,42)
InChIKey
ABUOYNJHOFLQBW-UHFFFAOYSA-N
Synonyms
444934-33-2
4(2amino3cyano4(4methoxy3((2nitrophenoxy)methyl)phenyl)77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)benzenesulfonamide
4(2AMINO3CYANO4(4METHOXY3((2NITROPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLIN1YL)BENZENESULFONAMIDE
444934332
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=CC=C5(N+)(=O)(O))C(=O)C1)C
InChI=1SC32H31N5O7Sc132(2)152530(26(38)1632)29(23(1733)31(34)36(25)2191122(121021)45(3541)42)1981327(433)20(1419)184428754624(28)37(39)40h41429H15161834H213H3(H2354142)
MFCD02607007
N#CC1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(c(c1)COc1ccccc1(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
ZINC000008456192
ZINC000008456193

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Available files

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