Vitas-M small molecule compound
8-methoxy-3-{[(E)-(4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}phenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STK528185
SMILES COc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1ccc(c(c1)CN1CCN(CC1)c1ccccc1OC)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 C31H32N6O4 MW 552.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N6O4/c1-39-23-9-10-25-24(17-23)29-30(34-25)31(38)37(20-32-29)33-18-21-8-11-27(40-2)22(16-21)19-35-12-14-36(15-13-35)26-6-4-5-7-28(26)41-3/h4-11,16-18,20,34H,12-15,19H2,1-3H3/b33-18+InChIKey
ZYRHNTUGEYKXTB-DPNNOFEESA-NSynonyms
(E)8methoxy3((4methoxy3((4(2methoxyphenyl)piperazin1yl)methyl)benzylidene)amino)3Hpyrimido(54b)indol4(5H)one
8methoxy3(((E)(4methoxy3((4(2methoxyphenyl)piperazin1yl)methyl)phenyl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
8methoxy3((E)(4methoxy3((4(2methoxyphenyl)piperazin1yl)methyl)phenyl)methylideneamino)5Hpyrimido(54b)indol4one
COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)N=CC4=CC(=C(C=C4)OC)CN5CCN(CC5)C6=CC=CC=C6OC
COc1ccc2c(c1)c1ncn(c(=O)c1(nH)2)N=Cc1ccc(c(c1)CN1CCN(CC1)c1ccccc1OC)OC
InChI=1SC31H32N6O4c139239102524(1723)2930(3425)31(38)37(203229)33182181127(402)22(1621)1935121436(151335)26645728(26)413h41116182034H121519H213H3b3318+
MFCD01949060
ZINC000001275231
ZINC102404402
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.