Vitas-M small molecule compound
2-(butan-2-ylsulfanyl)-8,8-dimethyl-5-(5-methylthiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918780
SMILES CCC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(s1)C)C(=O)CC(C3)(C)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 C22H27N3O2S2 MW 429.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S2/c1-6-11(2)29-21-24-19-18(20(27)25-21)17(15-8-7-12(3)28-15)16-13(23-19)9-22(4,5)10-14(16)26/h7-8,11,17H,6,9-10H2,1-5H3,(H2,23,24,25,27)InChIKey
APMCBNXDEBYPDP-UHFFFAOYSA-NSynonyms
631854-49-42(butan2ylsulfanyl)88dimethyl5(5methylthiophen2yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butan2ylsulfanyl88dimethyl5(5methylthiophen2yl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
631854494
CCC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(S4)C)C(=O)CC(C3)(C)C
CCC(Sc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(s1)C)C(=O)CC(C3)(C)C)C
InChI=1SC22H27N3O2S2c1611(2)2921241918(20(27)2521)17(158712(3)2815)1613(2319)922(45)1014(16)26h781117H6910H215H3(H223242527)
MFCD04444023
ZINC000016779345
ZINC000016779351
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