Vitas-M small molecule compound
5-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980674
SMILES COc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SC(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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-11(2)28-21-23-19-18(20(26)24-21)16(12-6-4-7-13(10-12)27-3)17-14(22-19)8-5-9-15(17)25/h4,6-7,10-11,16H,5,8-9H2,1-3H3,(H2,22,23,24,26)InChIKey
CBAYGLLQGXKTRW-UHFFFAOYSA-NSynonyms
5(3methoxyphenyl)2(propan2ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(3methoxyphenyl)2propan2ylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)OC)C(=O)CCC3
COc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SC(C)C
InChI=1SC21H23N3O3Sc111(2)2821231918(20(26)2421)16(1264713(1012)273)1714(2219)85915(17)25h467101116H589H213H3(H222232426)
MFCD04443929
ZINC000000937251
ZINC000000937252
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