Vitas-M small molecule compound
5-(3-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918648
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-3-10-28-21-23-19-18(20(26)24-21)16(12-6-4-7-13(11-12)27-2)17-14(22-19)8-5-9-15(17)25/h3-4,6-7,11,16H,1,5,8-10H2,2H3,(H2,22,23,24,26)InChIKey
VYTHFNYUCSLARD-UHFFFAOYSA-NSynonyms
627045-86-75(3methoxyphenyl)2(prop2en1ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(3methoxyphenyl)2prop2enylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
627045867
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)OC)C(=O)CCC3
COC1=CC=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C
InChI=1SC21H21N3O3Sc13102821231918(20(26)2421)16(1264713(1112)272)1714(2219)85915(17)25h34671116H15810H22H3(H222232426)
MFCD04443938
ZINC000006009462
ZINC000006009463
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