Vitas-M small molecule compound
11-{[(E)-(4-tert-butylphenyl)methylidene]amino}-3-hexyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL234456
SMILES CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(cc1)C(C)(C)C
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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 C29H32N6O MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N6O/c1-5-6-7-10-17-34-19-30-26-24(28(34)36)25-27(33-23-12-9-8-11-22(23)32-25)35(26)31-18-20-13-15-21(16-14-20)29(2,3)4/h8-9,11-16,18-19H,5-7,10,17H2,1-4H3/b31-18+InChIKey
CLQZLUVPGRNJCI-FDAWAROLSA-NSynonyms
845804-50-4(E)11((4(tertbutyl)benzylidene)amino)3hexyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
11(((E)(4tertbutylphenyl)methylidene)amino)3hexyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
845804504
CCCCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=C(C=C5)C(C)(C)C
CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccc(cc1)C(C)(C)C
InChI=1SC29H32N6Oc156710173419302624(28(34)36)2527(332312981122(23)3225)35(26)311820131521(161420)29(23)4h8911161819H571017H214H3b3118+
MFCD04170687
ZINC000002418266
ZINC33367695
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