Vitas-M small molecule compound
5-(2-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918643
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccccc1OC)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/c1-3-11-28-21-23-19-18(20(26)24-21)16(12-7-4-5-10-15(12)27-2)17-13(22-19)8-6-9-14(17)25/h3-5,7,10,16H,1,6,8-9,11H2,2H3,(H2,22,23,24,26)InChIKey
ZESAMVXMAOGXJD-UHFFFAOYSA-NSynonyms
5(2methoxyphenyl)2(prop2en1ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(2methoxyphenyl)2prop2enylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccccc1OC)C(=O)CCC3
COC1=CC=CC=C1C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C
InChI=1SC21H21N3O3Sc13112821231918(20(26)2421)16(127451015(12)272)1713(2219)86914(17)25h3571016H168911H22H3(H222232426)
MFCD05989225
ZINC000006459053
ZINC000006459062
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