Vitas-M small molecule compound
9-chloro-3-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL154252
SMILES CCCCCOc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2c(Cl)ccc1
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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 C22H21ClN4O2 MW 408.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O2/c1-2-3-4-12-29-16-10-8-15(9-11-16)13-25-27-14-24-20-19-17(23)6-5-7-18(19)26-21(20)22(27)28/h5-11,13-14,26H,2-4,12H2,1H3/b25-13+InChIKey
WTBRTPDTSROLPZ-DHRITJCHSA-NSynonyms
861139-94-8(E)9chloro3((4(pentyloxy)benzylidene)amino)3Hpyrimido(54b)indol4(5H)one
861139948
9chloro3(((E)(4(pentyloxy)phenyl)methylidene)amino)35dihydro4Hpyrimido(54b)indol4one
9chloro3((E)(4pentoxyphenyl)methylideneamino)5Hpyrimido(54b)indol4one
CCCCCOC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl
CCCCCOc1ccc(cc1)C=Nn1cnc2c(c1=O)(nH)c1c2c(Cl)ccc1
InChI=1SC22H21ClN4O2c123412291610815(91116)1325271424201917(23)65718(19)2621(20)22(27)28h511131426H2412H21H3b2513+
MFCD05683880
ZINC000005478137
ZINC33785491
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