Vitas-M small molecule compound
8,8-dimethyl-5-(2-nitrophenyl)-2-(propylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918747
SMILES CCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccccc1[N+](=O)[O-])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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-4-9-31-21-24-19-18(20(28)25-21)16(12-7-5-6-8-14(12)26(29)30)17-13(23-19)10-22(2,3)11-15(17)27/h5-8,16H,4,9-11H2,1-3H3,(H2,23,24,25,28)InChIKey
KGRZPSFVZWOUJN-UHFFFAOYSA-NSynonyms
88dimethyl5(2nitrophenyl)2(propylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl5(2nitrophenyl)2propylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CC=C4(N+)(=O)(O))C(=O)CC(C3)(C)C
CCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccccc1(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC22H24N4O4Sc1493121241918(20(28)2521)16(12756814(12)26(29)30)1713(2319)1022(23)1115(17)27h5816H4911H213H3(H223242528)
MFCD05990015
ZINC000016346277
ZINC000016346280
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