Vitas-M small molecule compound

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

Catalog ID
STL233661
SMILES COc1ccc(cc1)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccnc1

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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 C27H21N7O2 MW 475.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N7O2/c1-36-20-10-8-18(9-11-20)12-14-33-17-29-25-23(27(33)35)24-26(32-22-7-3-2-6-21(22)31-24)34(25)30-16-19-5-4-13-28-15-19/h2-11,13,15-17H,12,14H2,1H3/b30-16+
InChIKey
IQNPBSFPJHHMSZ-OKCVXOCRSA-N
Synonyms
845988-05-8
(E)3(4methoxyphenethyl)11((pyridin3ylmethylene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(4methoxyphenyl)ethyl)11(((E)pyridin3ylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
845988058
COC1=CC=C(C=C1)CCN2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3N=CC6=CN=CC=C6
COc1ccc(cc1)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccnc1
InChI=1SC27H21N7O2c1362010818(91120)12143317292523(27(33)35)2426(3222732621(22)3124)34(25)3016195413281519h211131517H1214H21H3b3016+
MFCD04171563
ZINC000002419176
ZINC33367756

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Available files

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