Vitas-M small molecule compound

2-amino-N-(3-methylbutyl)-1-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK920752
SMILES COc1cc(/C=N/n2c3nc4ccccc4nc3c(c2N)C(=O)NCCC(C)C)cc(c1OC)OC

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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 C26H30N6O4 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O4/c1-15(2)10-11-28-26(33)21-22-25(31-18-9-7-6-8-17(18)30-22)32(24(21)27)29-14-16-12-19(34-3)23(36-5)20(13-16)35-4/h6-9,12-15H,10-11,27H2,1-5H3,(H,28,33)/b29-14+
InChIKey
CPCVDDCNTNAKOM-IPPBACCNSA-N
Synonyms
842954-99-8
(E)2aminoNisopentyl1((345trimethoxybenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoN(3methylbutyl)1(((E)(345trimethoxyphenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINON(3METHYLBUTYL)1((E)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
842954998
CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC(=C(C(=C4)OC)OC)OC)N
COc1cc(C=Nn2c3nc4ccccc4nc3c(c2N)C(=O)NCCC(C)C)cc(c1OC)OC
InChI=1SC26H30N6O4c115(2)10112826(33)212225(3118976817(18)3022)32(24(21)27)2914161219(343)23(365)20(1316)354h691215H101127H215H3(H2833)b2914+
MFCD04012077
ZINC000002397358
ZINC33365123

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Available files

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