Vitas-M small molecule compound

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

Catalog ID
STK920803
SMILES O=C(c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C(C)(C)C)NCCC1=CCCCC1

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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 C30H34N6O MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N6O/c1-30(2,3)22-15-13-21(14-16-22)19-33-36-27(31)25(29(37)32-18-17-20-9-5-4-6-10-20)26-28(36)35-24-12-8-7-11-23(24)34-26/h7-9,11-16,19H,4-6,10,17-18,31H2,1-3H3,(H,32,37)/b33-19+
InChIKey
WSVOJTBYBKSRKB-HNSNBQBZSA-N
Synonyms
573930-66-2
(E)2amino1((4(tertbutyl)benzylidene)amino)N(2(cyclohex1en1yl)ethyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(4tertbutylphenyl)methylidene)amino)N(2(cyclohex1en1yl)ethyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1((E)(4tertbutylphenyl)methylideneamino)N(2(cyclohexen1yl)ethyl)pyrrolo(32b)quinoxaline3carboxamide
573930662
CC(C)(C)C1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CCCCC5)N
InChI=1SC30H34N6Oc130(23)22151321(141622)19333627(31)25(29(37)3218172095461020)2628(36)352412871123(24)3426h79111619H4610171831H213H3(H3237)b3319+
MFCD04019539
O=C(c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccc(cc1)C(C)(C)C)NCCC1=CCCCC1
ZINC000008818456
ZINC33734927

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Available files

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