Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-2-(butylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980683
SMILES CCCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc2c(c1)OCO2)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 C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-2-3-9-30-22-24-20-19(21(27)25-22)17(18-13(23-20)5-4-6-14(18)26)12-7-8-15-16(10-12)29-11-28-15/h7-8,10,17H,2-6,9,11H2,1H3,(H2,23,24,25,27)InChIKey
OOIUMFYLRFTCQT-UHFFFAOYSA-NSynonyms
628278-65-95(13benzodioxol5yl)2(butylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(13benzodioxol5yl)2butylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
628278659
CCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC5=C(C=C4)OCO5)C(=O)CCC3
CCCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc2c(c1)OCO2)C(=O)CCC3
InChI=1SC22H23N3O4Sc12393022242019(21(27)2522)17(1813(2320)54614(18)26)12781516(1012)29112815h781017H26911H21H3(H223242527)
MFCD04443984
ZINC000009494390
ZINC000009494394
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