Vitas-M small molecule compound
5-(2-chlorophenyl)-8,8-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918731
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccccc1Cl)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 C22H22ClN3O2S MW 427.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O2S/c1-4-9-29-21-25-19-18(20(28)26-21)16(12-7-5-6-8-13(12)23)17-14(24-19)10-22(2,3)11-15(17)27/h4-8,16H,1,9-11H2,2-3H3,(H2,24,25,26,28)InChIKey
MOWLBZJXVSWUIR-UHFFFAOYSA-NSynonyms
5(2chlorophenyl)88dimethyl2(prop2en1ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(2chlorophenyl)88dimethyl2prop2enylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccccc1Cl)C(=O)CC(C3)(C)C
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC=C)C4=CC=CC=C4Cl)C(=O)C1)C
InChI=1SC22H22ClN3O2Sc1492921251918(20(28)2621)16(12756813(12)23)1714(2419)1022(23)1115(17)27h4816H1911H223H3(H224252628)
MFCD05989642
ZINC000016346066
ZINC000016346069
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