Vitas-M small molecule compound
5-(4-chlorophenyl)-8,8-dimethyl-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980750
SMILES CSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)Cl)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 C20H20ClN3O2S MW 401.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O2S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(21)7-5-10)16-17(22-12)23-19(27-3)24-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,22,23,24,26)InChIKey
ZMYPFBCXMULJNO-UHFFFAOYSA-NSynonyms
5(4chlorophenyl)88dimethyl2(methylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4chlorophenyl)88dimethyl2methylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC=C(C=C4)Cl)C(=O)C1)C
CSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)Cl)C(=O)CC(C3)(C)C
InChI=1SC20H20ClN3O2Sc120(2)81215(13(25)920)14(104611(21)7510)1617(2212)2319(273)2418(16)26h4714H89H213H3(H222232426)
MFCD04212778
ZINC000005864440
ZINC000005864552
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