Vitas-M small molecule compound

3-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-11-{[(E)-pyridin-3-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STL160682
SMILES Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1c(n2/N=C/c2cccnc2)nc2c(n1)cccc2

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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 C27H25N7O MW 463.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N7O/c1-18-30-25-23(27(35)33(18)15-13-19-8-3-2-4-9-19)24-26(32-22-12-6-5-11-21(22)31-24)34(25)29-17-20-10-7-14-28-16-20/h5-8,10-12,14,16-17H,2-4,9,13,15H2,1H3/b29-17+
InChIKey
AOWWCIPOALGLAU-STBIYBPSSA-N
Synonyms
860806-62-8
(E)3(2(cyclohex1en1yl)ethyl)2methyl11((pyridin3ylmethylene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(cyclohex1en1yl)ethyl)2methyl11(((E)pyridin3ylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
860806628
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CN=CC=C5)C(=O)N1CCC6=CCCCC6
Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1c(n2N=Cc2cccnc2)nc2c(n1)cccc2
InChI=1SC27H25N7Oc118302523(27(35)33(18)1513198324919)2426(322212651121(22)3124)34(25)29172010714281620h581012141617H2491315H21H3b2917+
MFCD04170212
ZINC000002417818
ZINC33367676

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Available files

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