Vitas-M small molecule compound
3-{[(E)-(4-butoxyphenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STK541617
SMILES CCCCOc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cccc1
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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 C22H22N4O2 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2/c1-3-4-13-28-17-11-9-16(10-12-17)14-23-26-15(2)24-20-18-7-5-6-8-19(18)25-21(20)22(26)27/h5-12,14,25H,3-4,13H2,1-2H3/b23-14+InChIKey
UZEHFAIVMFYFLH-OEAKJJBVSA-NSynonyms
500271-61-4(E)3((4butoxybenzylidene)amino)2methyl3Hpyrimido(54b)indol4(5H)one
3(((E)(4butoxyphenyl)methylidene)amino)2methyl35dihydro4Hpyrimido(54b)indol4one
3((E)(4BUTOXYPHENYL)METHYLIDENEAMINO)2METHYL5HPYRIMIDO(54B)INDOL4ONE
500271614
CCCCOC1=CC=C(C=C1)C=NN2C(=NC3=C(C2=O)NC4=CC=CC=C43)C
CCCCOc1ccc(cc1)C=Nn1c(C)nc2c(c1=O)(nH)c1c2cccc1
InChI=1SC22H22N4O2c13413281711916(101217)14232615(2)242018756819(18)2521(20)22(26)27h5121425H3413H212H3b2314+
MFCD03302758
ZINC000002352510
ZINC2352509
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