Vitas-M small molecule compound

2-amino-N-(3-methylbutyl)-1-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STL226137
SMILES CC(CCNC(=O)c1c2nc3ccccc3nc2n(c1N)/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 C26H30N6O MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O/c1-16(2)13-14-28-26(33)22-23-25(31-21-8-6-5-7-20(21)30-23)32(24(22)27)29-15-18-9-11-19(12-10-18)17(3)4/h5-12,15-17H,13-14,27H2,1-4H3,(H,28,33)/b29-15+
InChIKey
DPKHBMHMGVBZPB-WKULSOCRSA-N
Synonyms
575462-34-9
(E)2aminoNisopentyl1((4isopropylbenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoN(3methylbutyl)1(((E)(4(propan2yl)phenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINON(3METHYLBUTYL)1((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
575462349
CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=C(C=C4)C(C)C)N
CC(CCNC(=O)c1c2nc3ccccc3nc2n(c1N)N=Cc1ccc(cc1)C(C)C)C
InChI=1SC26H30N6Oc116(2)13142826(33)222325(3121865720(21)3023)32(24(22)27)29151891119(121018)17(3)4h5121517H131427H214H3(H2833)b2915+
MFCD04026798
ZINC000002377058
ZINC33364174

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Available files

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