Vitas-M small molecule compound

2-amino-N-benzyl-1-{[(E)-(4-tert-butylphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK714435
SMILES O=C(c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C(C)(C)C)NCc1ccccc1

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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 C29H28N6O MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O/c1-29(2,3)21-15-13-20(14-16-21)18-32-35-26(30)24(28(36)31-17-19-9-5-4-6-10-19)25-27(35)34-23-12-8-7-11-22(23)33-25/h4-16,18H,17,30H2,1-3H3,(H,31,36)/b32-18+
InChIKey
JVVSGRJSZSCREM-KCSSXMTESA-N
Synonyms
835909-83-6
(E)2aminoNbenzyl1((4(tertbutyl)benzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoNbenzyl1(((E)(4tertbutylphenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINONBENZYL1((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
835909836
CC(C)(C)C1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N
InChI=1SC29H28N6Oc129(23)21151320(141621)18323526(30)24(28(36)31171995461019)2527(35)342312871122(23)3325h41618H1730H213H3(H3136)b3218+
MFCD03687064
O=C(c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccc(cc1)C(C)(C)C)NCc1ccccc1
ZINC000002249361
ZINC2249360

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Available files

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