Vitas-M small molecule compound

methyl 4-{(E)-[(2-amino-3-{[3-(propan-2-yloxy)propyl]carbamoyl}-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino]methyl}benzoate

Catalog ID
STK920688
SMILES COC(=O)c1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c(c1N)C(=O)NCCCOC(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 C26H28N6O4 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O4/c1-16(2)36-14-6-13-28-25(33)21-22-24(31-20-8-5-4-7-19(20)30-22)32(23(21)27)29-15-17-9-11-18(12-10-17)26(34)35-3/h4-5,7-12,15-16H,6,13-14,27H2,1-3H3,(H,28,33)/b29-15+
InChIKey
ZYOOLBPVOFMZGN-WKULSOCRSA-N
Synonyms
586998-52-9
(E)methyl4(((2amino3((3isopropoxypropyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
586998529
CC(C)OCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=C(C=C4)C(=O)OC)N
COC(=O)c1ccc(cc1)C=Nn1c2nc3ccccc3nc2c(c1N)C(=O)NCCCOC(C)C
InChI=1SC26H28N6O4c116(2)36146132825(33)212224(3120854719(20)3022)32(23(21)27)29151791118(121017)26(34)353h457121516H6131427H213H3(H2833)b2915+
methyl4((E)((2amino3((3(propan2yloxy)propyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
METHYL4((E)(2AMINO3(3PROPAN2YLOXYPROPYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)IMINOMETHYL)BENZOATE
MFCD04032196
ZINC000002395577
ZINC4464778

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Available files

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