Vitas-M small molecule compound
2-(ethylsulfanyl)-5-(4-hydroxy-3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980659
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(c(c1)OC)O)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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-3-28-20-22-18-17(19(26)23-20)15(10-7-8-12(24)14(9-10)27-2)16-11(21-18)5-4-6-13(16)25/h7-9,15,24H,3-6H2,1-2H3,(H2,21,22,23,26)InChIKey
VPDJKEMSMBOBDT-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)5(4hydroxy3methoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2ethylsulfanyl5(4hydroxy3methoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C=C4)O)OC)C(=O)CCC3
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(c(c1)OC)O)C(=O)CCC3
InChI=1SC20H21N3O4Sc132820221817(19(26)2320)15(107812(24)14(910)272)1611(2118)54613(16)25h791524H36H212H3(H221222326)
MFCD03861324
ZINC000100885232
ZINC000100885236
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