Vitas-M small molecule compound
methyl 4-[(E)-({2-amino-3-[(3,5-dimethylphenyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}imino)methyl]benzoate
Catalog ID
STK714530
SMILES COC(=O)c1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cc(C)cc(c1)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 C28H24N6O3 MW 492.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N6O3/c1-16-12-17(2)14-20(13-16)31-27(35)23-24-26(33-22-7-5-4-6-21(22)32-24)34(25(23)29)30-15-18-8-10-19(11-9-18)28(36)37-3/h4-15H,29H2,1-3H3,(H,31,35)/b30-15+InChIKey
UHOZHNZKCAAMML-FJEPWZHXSA-NSynonyms
578723-34-9(E)methyl4(((2amino3((35dimethylphenyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
578723349
CC1=CC(=CC(=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=C(C=C5)C(=O)OC)N)C
COC(=O)c1ccc(cc1)C=Nn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cc(C)cc(c1)C
InChI=1SC28H24N6O3c1161217(2)1420(1316)3127(35)232426(3322754621(22)3224)34(25(23)29)30151881019(11918)28(36)373h415H29H213H3(H3135)b3015+
methyl4((E)((2amino3((35dimethylphenyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
METHYL4((E)(2AMINO3((35DIMETHYLPHENYL)CARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)IMINOMETHYL)BENZOATE
MFCD04029828
ZINC000002389919
ZINC33364786
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