Vitas-M small molecule compound
3-{[(1E)-3-(4-tert-butylphenyl)-2-methylpropylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL235391
SMILES COc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/C(Cc1ccc(cc1)C(C)(C)C)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 C25H28N4O2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2/c1-16(12-17-6-8-18(9-7-17)25(2,3)4)14-27-29-15-26-22-20-13-19(31-5)10-11-21(20)28-23(22)24(29)30/h6-11,13-16,28H,12H2,1-5H3/b27-14+InChIKey
UCXWKCOYRLZGAS-MZJWZYIUSA-NSynonyms
552285-09-3(E)3((3(4(tertbutyl)phenyl)2methylpropylidene)amino)8methoxy3Hpyrimido(54b)indol4(5H)one
3(((1E)3(4tertbutylphenyl)2methylpropylidene)amino)8methoxy35dihydro4Hpyrimido(54b)indol4one
3((E)(3(4tertbutylphenyl)2methylpropylidene)amino)8methoxy5Hpyrimido(54b)indol4one
552285093
CC(CC1=CC=C(C=C1)C(C)(C)C)C=NN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)OC
COc1ccc2c(c1)c1ncn(c(=O)c1(nH)2)N=CC(Cc1ccc(cc1)C(C)(C)C)C
InChI=1SC25H28N4O2c116(12176818(9717)25(23)4)142729152622201319(315)101121(20)2823(22)24(29)30h611131628H12H215H3b2714+
MFCD02988661
ZINC000005164450
ZINC000005164452
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