Vitas-M small molecule compound
3-{[(E)-(4-butoxyphenyl)methylidene]amino}-2-hydroxy-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STK592257
SMILES CCCCOc1ccc(cc1)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2ccc(c1)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/c1-3-4-11-30-15-7-5-14(6-8-15)13-23-26-21(27)20-19(25-22(26)28)17-10-9-16(29-2)12-18(17)24-20/h5-10,12-13,24H,3-4,11H2,1-2H3,(H,25,28)/b23-13+InChIKey
BFSYTUABNLVNAY-YDZHTSKRSA-NSynonyms
578747-79-23(((E)(4butoxyphenyl)methylidene)amino)2hydroxy7methoxy35dihydro4Hpyrimido(54b)indol4one
3((E)(4butoxyphenyl)methylideneamino)7methoxy15dihydropyrimido(54b)indole24dione
578747792
CCCCOC1=CC=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=C(C=C4)OC)NC2=O
CCCCOc1ccc(cc1)C=Nn1c(O)nc2c(c1=O)(nH)c1c2ccc(c1)OC
InChI=1SC22H22N4O4c1341130157514(6815)13232621(27)2019(2522(26)28)1710916(292)1218(17)2420h510121324H3411H212H3(H2528)b2313+
MFCD07201666
ZINC000009357253
ZINC33923218
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