Vitas-M small molecule compound
8-methoxy-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
STK527949
SMILES COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/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 C21H18N4O3 MW 374.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3/c1-13(10-14-6-4-3-5-7-14)12-22-25-20(26)19-18(24-21(25)27)16-11-15(28-2)8-9-17(16)23-19/h3-12,23H,1-2H3,(H,24,27)/b13-10+,22-12+InChIKey
BUHSHJXEEBIUNM-XJDJRJIPSA-NSynonyms
8methoxy3(((1E2E)2methyl3phenylprop2en1ylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
8methoxy3((E)((E)2methyl3phenylallylidene)amino)1Hpyrimido(54b)indole24(3H5H)dione
8methoxy3((E)((E)2methyl3phenylprop2enylidene)amino)15dihydropyrimido(54b)indole24dione
CC(=CC1=CC=CC=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=O
COc1ccc2c(c1)c1(nH)c(=O)n(c(=O)c1(nH)2)N=CC(=Cc1ccccc1)C
InChI=1SC21H18N4O3c113(10146435714)12222520(26)1918(2421(25)27)161115(282)8917(16)2319h31223H12H3(H2427)b1310+2212+
MFCD02240661
ZINC000008738147
ZINC34377928
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