Vitas-M small molecule compound
N-{4-[(5-{(E)-[(2-hydroxy-8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2-methoxybenzyl)oxy]phenyl}acetamide
Catalog ID
STK615199
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2cc(cc1)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 C28H25N5O5 MW 511.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O5/c1-16-4-10-23-22(12-16)25-26(31-23)27(35)33(28(36)32-25)29-14-18-5-11-24(37-3)19(13-18)15-38-21-8-6-20(7-9-21)30-17(2)34/h4-14,31H,15H2,1-3H3,(H,30,34)(H,32,36)/b29-14+InChIKey
HPIQBCDVRMLBRJ-IPPBACCNSA-NSynonyms
552284-53-4552284534
CC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)N=CC4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)NC(=O)C
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=Nn1c(O)nc2c(c1=O)(nH)c1c2cc(cc1)C
InChI=1SC28H25N5O5c1164102322(1216)2526(3123)27(35)33(28(36)3225)29141851124(373)19(1318)1538218620(7921)3017(2)34h41431H15H213H3(H3034)(H3236)b2914+
MFCD08730502
N(4((2methoxy5((E)(8methyl24dioxo15dihydropyrimido(54b)indol3yl)iminomethyl)phenyl)methoxy)phenyl)acetamide
N(4((5((E)((2hydroxy8methyl4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)2methoxybenzyl)oxy)phenyl)acetamide
ZINC000017045031
ZINC102715017
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