Vitas-M small molecule compound
N-{4-[(2-methoxy-5-{(E)-[(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}benzyl)oxy]phenyl}acetamide
Catalog ID
STK527316
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)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 C28H25N5O5 MW 511.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O5/c1-17(34)31-20-5-7-21(8-6-20)38-15-19-12-18(4-11-25(19)37-3)14-30-33-16-29-26-23-13-22(36-2)9-10-24(23)32-27(26)28(33)35/h4-14,16,32H,15H2,1-3H3,(H,31,34)/b30-14+InChIKey
ROBIGVDOIRLEQQ-AMVVHIIESA-NSynonyms
374098-99-4(E)N(4((2methoxy5(((8methoxy4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)benzyl)oxy)phenyl)acetamide
374098994
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)OC)OC
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=Nn1cnc2c(c1=O)(nH)c1c2cc(cc1)OC
InChI=1SC28H25N5O5c117(34)31205721(8620)3815191218(41125(19)373)143033162926231322(362)91024(23)3227(26)28(33)35h4141632H15H213H3(H3134)b3014+
MFCD01952095
N(4((2methoxy5((E)((8methoxy4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)benzyl)oxy)phenyl)acetamide
N(4((2methoxy5((E)(8methoxy4oxo5Hpyrimido(54b)indol3yl)iminomethyl)phenyl)methoxy)phenyl)acetamide
ZINC000002283812
ZINC33352206
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.