Vitas-M small molecule compound

2-amino-1-{[(E)-(3-methylphenyl)methylidene]amino}-N-[3-(propan-2-yloxy)propyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK920695
SMILES CC(OCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1cccc(c1)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 C25H28N6O2 MW 444.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O2/c1-16(2)33-13-7-12-27-25(32)21-22-24(30-20-11-5-4-10-19(20)29-22)31(23(21)26)28-15-18-9-6-8-17(3)14-18/h4-6,8-11,14-16H,7,12-13,26H2,1-3H3,(H,27,32)/b28-15+
InChIKey
BDPSDHJXQDUXQH-RWPZCVJISA-N
Synonyms
577962-84-6
(E)2aminoN(3isopropoxypropyl)1((3methylbenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(3methylphenyl)methylidene)amino)N(3(propan2yloxy)propyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINO1((E)(3METHYLPHENYL)METHYLIDENEAMINO)N(3PROPAN2YLOXYPROPYL)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
577962846
CC(OCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1cccc(c1)C)C
CC1=CC=CC(=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCOC(C)C)N
InChI=1SC25H28N6O2c116(2)33137122725(32)212224(302011541019(20)2922)31(23(21)26)28151896817(3)1418h468111416H7121326H213H3(H2732)b2815+
MFCD04028757
ZINC000002385211
ZINC2385209

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Available files

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