Vitas-M small molecule compound
8-bromo-3-({(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylidene}amino)-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STK527386
SMILES OCc1cc(ccc1OC)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br
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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 C20H17BrN4O3 MW 441.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O3/c1-11-23-18-15-8-14(21)4-5-16(15)24-19(18)20(27)25(11)22-9-12-3-6-17(28-2)13(7-12)10-26/h3-9,24,26H,10H2,1-2H3/b22-9+InChIKey
BXQLWIQBCBFFGS-LSFURLLWSA-NSynonyms
8bromo3(((E)(3(hydroxymethyl)4methoxyphenyl)methylidene)amino)2methyl35dihydro4Hpyrimido(54b)indol4one
8bromo3((3(hydroxymethyl)4methoxybenzylidene)amino)2methyl3Hpyrimido(54b)indol4(5H)one
8BROMO3((E)(3(HYDROXYMETHYL)4METHOXYPHENYL)METHYLIDENEAMINO)2METHYL5HPYRIMIDO(54B)INDOL4ONE
CC1=NC2=C(C(=O)N1N=CC3=CC(=C(C=C3)OC)CO)NC4=C2C=C(C=C4)Br
InChI=1SC20H17BrN4O3c111231815814(21)4516(15)2419(18)20(27)25(11)229123617(282)13(712)1026h392426H10H212H3b229+
MFCD01875775
OCc1cc(ccc1OC)C=Nn1c(C)nc2c(c1=O)(nH)c1c2cc(cc1)Br
ZINC000002271282
ZINC33352017
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