Vitas-M small molecule compound

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

Catalog ID
STL162039
SMILES COc1ccc(cc1)CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccs1

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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 C27H22N6O2S MW 494.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N6O2S/c1-17-29-25-23(27(34)32(17)14-13-18-9-11-19(35-2)12-10-18)24-26(31-22-8-4-3-7-21(22)30-24)33(25)28-16-20-6-5-15-36-20/h3-12,15-16H,13-14H2,1-2H3/b28-16+
InChIKey
ZUBWCVAQVNRFDC-LQKURTRISA-N
Synonyms
862245-04-3
(E)3(4methoxyphenethyl)2methyl11((thiophen2ylmethylene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(4methoxyphenyl)ethyl)2methyl11(((E)thiophen2ylmethylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
862245043
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=CS5)C(=O)N1CCC6=CC=C(C=C6)OC
COc1ccc(cc1)CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccs1
InChI=1SC27H22N6O2Sc117292523(27(34)32(17)14131891119(352)121018)2426(3122843721(22)3024)33(25)28162065153620h3121516H1314H212H3b2816+
MFCD05698149
ZINC000009292244
ZINC33931349

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Available files

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