Vitas-M small molecule compound
ethyl 4-{2-amino-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}benzoate
Catalog ID
STL055161
SMILES CCOC(=O)c1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)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 C31H27N7O4 MW 561.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N7O4/c1-4-42-31(41)19-14-16-20(17-15-19)37-27(32)24(26-28(37)34-23-13-9-8-12-22(23)33-26)29(39)35-25-18(2)36(3)38(30(25)40)21-10-6-5-7-11-21/h5-17H,4,32H2,1-3H3,(H,35,39)InChIKey
DOMGCJMGRJEPFT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)N
ethyl4(2amino3((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)benzoate
ETHYL4(2AMINO3((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)CARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)BENZOATE
InChI=1SC31H27N7O4c144231(41)19141620(171519)3727(32)24(2628(37)342313981222(23)3326)29(39)352518(2)36(3)38(30(25)40)21106571121h517H432H213H3(H3539)
MFCD03287176
ZINC000001269740
ZINC01269740
ZINC1269740
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