Vitas-M small molecule compound
4-(2-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolinium-6-carboxylate
Catalog ID
STL047267
SMILES ClC1C(Sc2ccccc2[N+](=O)[O-])CC2C1c1cccc(c1[NH2+]C2c1ccccc1Br)C(=O)[O-]
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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 C25H20BrClN2O4S MW 559.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O4S/c26-17-9-2-1-6-13(17)23-16-12-20(34-19-11-4-3-10-18(19)29(32)33)22(27)21(16)14-7-5-8-15(25(30)31)24(14)28-23/h1-11,16,20-23,28H,12H2,(H,30,31)InChIKey
WHONIVQSYJOJLV-UHFFFAOYSA-NSynonyms
4(2bromophenyl)1chloro2((2nitrophenyl)sulfanyl)233a459bhexahydro1Hcyclopenta(c)quinolinium6carboxylate
4(2BROMOPHENYL)1CHLORO2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLIN5IUM6CARBOXYLATE
4(2BROMOPHENYL)1CHLORO2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE6CARBOXYLICACID
C1C2C(C(C1SC3=CC=CC=C3(N+)(=O)(O))Cl)C4=CC=CC(=C4NC2C5=CC=CC=C5Br)C(=O)O
ClC1C(Sc2ccccc2(N+)(=O)(O))CC2C1c1cccc(c1(NH2+)C2c1ccccc1Br)C(=O)(O)
InChI=1SC25H20BrClN2O4Sc2617921613(17)23161220(341911431018(19)29(32)33)22(27)21(16)1475815(25(30)31)24(14)2823h11116202328H12H2(H3031)
MFCD01593517
ZINC000006445635
ZINC000245247576
Check stock
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Check stock on Vitas-MAvailable files
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