Vitas-M small molecule compound
3-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Catalog ID
STK528565
SMILES CCOc1ccc(cc1OC)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)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 C21H20N4O4 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4/c1-4-29-16-8-6-13(10-17(16)28-3)11-22-25-20(26)19-18(24-21(25)27)14-9-12(2)5-7-15(14)23-19/h5-11,23H,4H2,1-3H3,(H,24,27)/b22-11+InChIKey
RETQDFKDYORXTJ-SSDVNMTOSA-NSynonyms
372496-46-3(E)3((4ethoxy3methoxybenzylidene)amino)8methyl1Hpyrimido(54b)indole24(3H5H)dione
3(((E)(4ethoxy3methoxyphenyl)methylidene)amino)8methyl1Hpyrimido(54b)indole24(3H5H)dione
3((E)(4ETHOXY3METHOXYPHENYL)METHYLIDENEAMINO)8METHYL15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
372496463
CCOC1=C(C=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)C)NC2=O)OC
CCOc1ccc(cc1OC)C=Nn1c(=O)(nH)c2c(c1=O)(nH)c1c2cc(cc1)C
InChI=1SC21H20N4O4c1429168613(1017(16)283)11222520(26)1918(2421(25)27)14912(2)5715(14)2319h51123H4H213H3(H2427)b2211+
MFCD01943101
ZINC000017045919
ZINC2276940
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