Vitas-M small molecule compound

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

Catalog ID
STK714501
SMILES COc1ccc(cc1)CCNC(=O)c1c2nc3ccccc3nc2n(c1N)/N=C/c1ccc(cc1)C(=O)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 C29H26N6O4 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N6O4/c1-38-21-13-9-18(10-14-21)15-16-31-28(36)24-25-27(34-23-6-4-3-5-22(23)33-25)35(26(24)30)32-17-19-7-11-20(12-8-19)29(37)39-2/h3-14,17H,15-16,30H2,1-2H3,(H,31,36)/b32-17+
InChIKey
PATOPHYNGKBANH-VTNSRFBWSA-N
Synonyms
836630-52-5
(E)methyl4(((2amino3((4methoxyphenethyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
836630525
COC1=CC=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=C(C=C5)C(=O)OC)N
COc1ccc(cc1)CCNC(=O)c1c2nc3ccccc3nc2n(c1N)N=Cc1ccc(cc1)C(=O)OC
InChI=1SC29H26N6O4c1382113918(101421)15163128(36)242527(3423643522(23)3325)35(26(24)30)32171971120(12819)29(37)392h31417H151630H212H3(H3136)b3217+
methyl4((E)((2amino3((2(4methoxyphenyl)ethyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
METHYL4((E)(2AMINO3(2(4METHOXYPHENYL)ETHYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)IMINOMETHYL)BENZOATE
MFCD03688716
ZINC000002251082
ZINC33351603

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Available files

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