Vitas-M small molecule compound
3-[2-(4-methoxyphenyl)ethyl]-2-methyl-11-{[(E)-pyridin-4-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL235869
SMILES COc1ccc(cc1)CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccncc1
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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 C28H23N7O2 MW 489.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N7O2/c1-18-31-26-24(28(36)34(18)16-13-19-7-9-21(37-2)10-8-19)25-27(33-23-6-4-3-5-22(23)32-25)35(26)30-17-20-11-14-29-15-12-20/h3-12,14-15,17H,13,16H2,1-2H3/b30-17+InChIKey
HYICQWSZANRZLT-OCSSWDANSA-NSynonyms
861115-19-7(E)3(4methoxyphenethyl)2methyl11((pyridin4ylmethylene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(4methoxyphenyl)ethyl)2methyl11(((E)pyridin4ylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
861115197
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=NC=C5)C(=O)N1CCC6=CC=C(C=C6)OC
COc1ccc(cc1)CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccncc1
InChI=1SC28H23N7O2c118312624(28(36)34(18)1613197921(372)10819)2527(3323643522(23)3225)35(26)301720111429151220h312141517H1316H212H3b3017+
MFCD05682712
ZINC000009307406
ZINC33783189
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