Vitas-M small molecule compound

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

Catalog ID
STK990862
SMILES O=C(c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C(C)(C)C)NC1CCCC1

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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 C27H30N6O MW 454.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O/c1-27(2,3)18-14-12-17(13-15-18)16-29-33-24(28)22(26(34)30-19-8-4-5-9-19)23-25(33)32-21-11-7-6-10-20(21)31-23/h6-7,10-16,19H,4-5,8-9,28H2,1-3H3,(H,30,34)/b29-16+
InChIKey
ACEQQEDGKJWIMZ-MUFRIFMGSA-N
Synonyms
840511-52-6
(E)2amino1((4(tertbutyl)benzylidene)amino)Ncyclopentyl1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(4tertbutylphenyl)methylidene)amino)Ncyclopentyl1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINO1((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)NCYCLOPENTYLPYRROLO(32B)QUINOXALINE3CARBOXAMIDE
840511526
CC(C)(C)C1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCC5)N
InChI=1SC27H30N6Oc127(23)18141217(131518)16293324(28)22(26(34)3019845919)2325(33)322111761020(21)3123h67101619H458928H213H3(H3034)b2916+
MFCD04009546
O=C(c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccc(cc1)C(C)(C)C)NC1CCCC1
ZINC000002265683
ZINC2265682

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Available files

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