Vitas-M small molecule compound
methyl 4-[4,6-dioxo-2-(prop-2-en-1-ylsulfanyl)-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-5-yl]benzoate
Catalog ID
STK918640
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(=O)OC)C(=O)CCC3
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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-3-11-30-22-24-19-18(20(27)25-22)16(17-14(23-19)5-4-6-15(17)26)12-7-9-13(10-8-12)21(28)29-2/h3,7-10,16H,1,4-6,11H2,2H3,(H2,23,24,25,27)InChIKey
FYQJDMVHVWRYAA-UHFFFAOYSA-NSynonyms
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)C(=O)OC)C(=O)CCC3
COC(=O)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C
InChI=1SC22H21N3O4Sc13113022241918(20(27)2522)16(1714(2319)54615(17)26)127913(10812)21(28)292h371016H14611H22H3(H223242527)
methyl4(46dioxo2(prop2en1ylsulfanyl)345678910octahydropyrimido(45b)quinolin5yl)benzoate
methyl4(46dioxo2prop2enylsulfanyl1578910hexahydropyrimido(45b)quinolin5yl)benzoate
MFCD05991690
ZINC000016361157
ZINC000016361159
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