Vitas-M small molecule compound

7,8-dimethoxy-3-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

Catalog ID
STK549955
SMILES COc1cc2c(cc1OC)[nH]c1c2[nH]c(=O)n(c1=O)/N=C/C(=C/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 C22H20N4O4 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4/c1-13(9-14-7-5-4-6-8-14)12-23-26-21(27)20-19(25-22(26)28)15-10-17(29-2)18(30-3)11-16(15)24-20/h4-12,24H,1-3H3,(H,25,28)/b13-9+,23-12+
InChIKey
YANOKNHNNGRAEU-HXWVNQCUSA-N
Synonyms
799834-28-9
78dimethoxy3(((1E2E)2methyl3phenylprop2en1ylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
78dimethoxy3((E)((E)2methyl3phenylallylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
78DIMETHOXY3((E)((E)2METHYL3PHENYLPROP2ENYLIDENE)AMINO)15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
799834289
CC(=CC1=CC=CC=C1)C=NN2C(=O)C3=C(C4=CC(=C(C=C4N3)OC)OC)NC2=O
COc1cc2c(cc1OC)(nH)c1c2(nH)c(=O)n(c1=O)N=CC(=Cc1ccccc1)C
InChI=1SC22H20N4O4c113(9147546814)12232621(27)2019(2522(26)28)151017(292)18(303)1116(15)2420h41224H13H3(H2528)b139+2312+
MFCD03684957
ZINC000009329851
ZINC33534389

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Available files

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