Vitas-M small molecule compound

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

Catalog ID
STK784823
SMILES CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1/N=C/c1ccc(cc1)N(C)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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-6-7-8-20-28-22-21-18(15-32-5)13-16(2)27-24(21)33-23(22)25(31)30(20)26-14-17-9-11-19(12-10-17)29(3)4/h9-14H,6-8,15H2,1-5H3/b26-14+
InChIKey
MMIULYORJWCPHK-VULFUBBASA-N
Synonyms

2butyl3(((E)(4(dimethylamino)phenyl)methylidene)amino)9(methoxymethyl)7methylpyrido(3245)thieno(32d)pyrimidin4(3H)one
2butyl3((E)(4(dimethylamino)phenyl)methylideneamino)9(methoxymethyl)7methylpyrido(12)thieno(34d)pyrimidin4one
CCCCC1=NC2=C(C(=O)N1N=CC3=CC=C(C=C3)N(C)C)SC4=C2C(=CC(=N4)C)COC
CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1N=Cc1ccc(cc1)N(C)C)C
InChI=1SC25H29N5O2Sc16782028222118(15325)1316(2)2724(21)3323(22)25(31)30(20)26141791119(121017)29(3)4h914H6815H215H3b2614+
MFCD07657116
ZINC000012410981
ZINC96438993

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Available files

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