Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-2-[(3-methylbutyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918688
SMILES CC(CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc2c(c1)OCO2)C(=O)CCC3)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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-12(2)8-9-31-23-25-21-20(22(28)26-23)18(19-14(24-21)4-3-5-15(19)27)13-6-7-16-17(10-13)30-11-29-16/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3,(H2,24,25,26,28)InChIKey
NWYOBVWZICOSTE-UHFFFAOYSA-NSynonyms
631853-33-35(13benzodioxol5yl)2((3methylbutyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(13benzodioxol5yl)2(3methylbutylsulfanyl)1578910hexahydropyrimido(45b)quinoline46dione
631853333
CC(C)CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC5=C(C=C4)OCO5)C(=O)CCC3
CC(CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc2c(c1)OCO2)C(=O)CCC3)C
InChI=1SC23H25N3O4Sc112(2)893123252120(22(28)2623)18(1914(2421)43515(19)27)13671617(1013)30112916h67101218H358911H212H3(H224252628)
MFCD04443962
ZINC000017113151
ZINC000017113154
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