Vitas-M small molecule compound
2-(ethylsulfanyl)-5-(4-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980783
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)OC)C(=O)CC(C3)(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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-5-29-21-24-19-18(20(27)25-21)16(12-6-8-13(28-4)9-7-12)17-14(23-19)10-22(2,3)11-15(17)26/h6-9,16H,5,10-11H2,1-4H3,(H2,23,24,25,27)InChIKey
WDMJWKOKUSRYHF-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)5(4methoxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2ethylsulfanyl5(4methoxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)OC)C(=O)CC(C3)(C)C
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)OC)C(=O)CC(C3)(C)C
InChI=1SC22H25N3O3Sc152921241918(20(27)2521)16(126813(284)9712)1714(2319)1022(23)1115(17)26h6916H51011H214H3(H223242527)
MFCD04457349
ZINC000006001534
ZINC000006001954
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