Vitas-M small molecule compound
3-{[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]amino}-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STK688014
SMILES CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1/N=C/c1cc2OCOc2cc1Br)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 C24H23BrN4O4S MW 543.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN4O4S/c1-4-5-6-19-28-21-20-15(11-31-3)7-13(2)27-23(20)34-22(21)24(30)29(19)26-10-14-8-17-18(9-16(14)25)33-12-32-17/h7-10H,4-6,11-12H2,1-3H3/b26-10+InChIKey
JRXABIXAXHNBAJ-NSKAYECMSA-NSynonyms
3(((E)(6bromo13benzodioxol5yl)methylidene)amino)2butyl9(methoxymethyl)7methylpyrido(3245)thieno(32d)pyrimidin4(3H)one
3((E)(6bromo13benzodioxol5yl)methylideneamino)2butyl9(methoxymethyl)7methylpyrido(12)thieno(34d)pyrimidin4one
CCCCC1=NC2=C(C(=O)N1N=CC3=CC4=C(C=C3Br)OCO4)SC5=C2C(=CC(=N5)C)COC
CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1N=Cc1cc2OCOc2cc1Br)C
InChI=1SC24H23BrN4O4Sc14561928212015(11313)713(2)2723(20)3422(21)24(30)29(19)26101481718(916(14)25)33123217h710H461112H213H3b2610+
MFCD07022693
ZINC000100213228
ZINC102781787
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