Vitas-M small molecule compound

2,8-dimethyl-3-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Catalog ID
STK542673
SMILES COc1cc(/C=N/n2c(C)nc3c(c2=O)[nH]c2c3cc(cc2)C)cc(c1OC)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 C22H22N4O4 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4/c1-12-6-7-16-15(8-12)19-20(25-16)22(27)26(13(2)24-19)23-11-14-9-17(28-3)21(30-5)18(10-14)29-4/h6-11,25H,1-5H3/b23-11+
InChIKey
LDBKMKTZSFBCOX-FOKLQQMPSA-N
Synonyms
489441-16-9
(E)28dimethyl3((345trimethoxybenzylidene)amino)3Hpyrimido(54b)indol4(5H)one
28dimethyl3(((E)(345trimethoxyphenyl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
28DIMETHYL3((E)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)5HPYRIMIDO(54B)INDOL4ONE
489441169
CC1=CC2=C(C=C1)NC3=C2N=C(N(C3=O)N=CC4=CC(=C(C(=C4)OC)OC)OC)C
COc1cc(C=Nn2c(C)nc3c(c2=O)(nH)c2c3cc(cc2)C)cc(c1OC)OC
InChI=1SC22H22N4O4c112671615(812)1920(2516)22(27)26(13(2)2419)231114917(283)21(305)18(1014)294h61125H15H3b2311+
MFCD03297174
ZINC000002272927
ZINC33352052

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Available files

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