Vitas-M small molecule compound
3-{[(1E,2E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ylidene]amino}-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Catalog ID
STK538153
SMILES C/C(=C\c1ccc2c(c1)OCO2)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br
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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 C21H15BrN4O4 MW 467.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O4/c1-11(6-12-2-5-16-17(7-12)30-10-29-16)9-23-26-20(27)19-18(25-21(26)28)14-8-13(22)3-4-15(14)24-19/h2-9,24H,10H2,1H3,(H,25,28)/b11-6+,23-9+InChIKey
IKBSWLIMHXNGQZ-VUGLXNDTSA-NSynonyms
369392-35-83(((1E2E)3(13benzodioxol5yl)2methylprop2en1ylidene)amino)8bromo1Hpyrimido(54b)indole24(3H5H)dione
3((E)((E)3(13BENZODIOXOL5YL)2METHYLPROP2ENYLIDENE)AMINO)8BROMO15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
3((E)((E)3(benzo(d)(13)dioxol5yl)2methylallylidene)amino)8bromo1Hpyrimido(54b)indole24(3H5H)dione
369392358
CC(=CC1=CC2=C(C=C1)OCO2)C=NN3C(=O)C4=C(C5=C(N4)C=CC(=C5)Br)NC3=O
CC(=Cc1ccc2c(c1)OCO2)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cc(cc1)Br
InChI=1SC21H15BrN4O4c111(612251617(712)30102916)9232620(27)1918(2521(26)28)14813(22)3415(14)2419h2924H10H21H3(H2528)b116+239+
MFCD02999522
ZINC000004470094
ZINC2309941
Check stock
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Check stock on Vitas-MAvailable files
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