Vitas-M small molecule compound

2-butyl-9-(methoxymethyl)-7-methyl-3-{[(E)-(4-nitrophenyl)methylidene]amino}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

Catalog ID
STK782672
SMILES CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1/N=C/c1ccc(cc1)[N+](=O)[O-])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 C23H23N5O4S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4S/c1-4-5-6-18-26-20-19-16(13-32-3)11-14(2)25-22(19)33-21(20)23(29)27(18)24-12-15-7-9-17(10-8-15)28(30)31/h7-12H,4-6,13H2,1-3H3/b24-12+
InChIKey
UJSJXSAMFUHTFG-WYMPLXKRSA-N
Synonyms

2butyl9(methoxymethyl)7methyl3(((E)(4nitrophenyl)methylidene)amino)pyrido(3245)thieno(32d)pyrimidin4(3H)one
2butyl9(methoxymethyl)7methyl3((E)(4nitrophenyl)methylideneamino)pyrido(12)thieno(34d)pyrimidin4one
CCCCC1=NC2=C(C(=O)N1N=CC3=CC=C(C=C3)(N+)(=O)(O))SC4=C2C(=CC(=N4)C)COC
CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1N=Cc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC23H23N5O4Sc14561826201916(13323)1114(2)2522(19)3321(20)23(29)27(18)2412157917(10815)28(30)31h712H4613H213H3b2412+
MFCD06017986
ZINC000012410989
ZINC102883486

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Available files

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