Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-2-(propylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918670
SMILES CCCSc1nc2NC3=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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-2-8-29-21-23-19-18(20(26)24-21)16(17-12(22-19)4-3-5-13(17)25)11-6-7-14-15(9-11)28-10-27-14/h6-7,9,16H,2-5,8,10H2,1H3,(H2,22,23,24,26)InChIKey
WATIDLPBAMAGSL-UHFFFAOYSA-NSynonyms
627047-07-85(13benzodioxol5yl)2(propylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(13benzodioxol5yl)2propylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
627047078
CCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC5=C(C=C4)OCO5)C(=O)CCC3
CCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc2c(c1)OCO2)C(=O)CCC3
InChI=1SC21H21N3O4Sc1282921231918(20(26)2421)16(1712(2219)43513(17)25)11671415(911)28102714h67916H25810H21H3(H222232426)
MFCD04443955
ZINC000005883982
ZINC000005884002
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