Vitas-M small molecule compound

1-chloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid

Catalog ID
STK523149
SMILES ClC1C(CC2C1c1cc(ccc1NC2c1cccc(c1)[N+](=O)[O-])C(=O)O)Sc1ccccc1[N+](=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 C25H20ClN3O6S MW 525.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O6S/c26-23-21(36-20-7-2-1-6-19(20)29(34)35)12-17-22(23)16-11-14(25(30)31)8-9-18(16)27-24(17)13-4-3-5-15(10-13)28(32)33/h1-11,17,21-24,27H,12H2,(H,30,31)
InChIKey
IZYGMLSUEPIQQQ-UHFFFAOYSA-N
Synonyms

1CHLORANYL4(3NITROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE8CARBOXYLICACID
1chloro4(3nitrophenyl)2((2nitrophenyl)sulfanyl)233a459bhexahydro1Hcyclopenta(c)quinoline8carboxylicacid
1CHLORO4(3NITROPHENYL)2((2NITROPHENYL)THIO)233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE8CARBOXYLICACID
1CHLORO4(3NITROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE8CARBOXYLICACID
C1C2C(C(C1SC3=CC=CC=C3(N+)(=O)(O))Cl)C4=C(C=CC(=C4)C(=O)O)NC2C5=CC(=CC=C5)(N+)(=O)(O)
ClC1C(CC2C1c1cc(ccc1NC2c1cccc(c1)(N+)(=O)(O))C(=O)O)Sc1ccccc1(N+)(=O)(O)
InChI=1SC25H20ClN3O6Sc262321(3620721619(20)29(34)35)121722(23)161114(25(30)31)8918(16)2724(17)1343515(1013)28(32)33h11117212427H12H2(H3031)
MFCD01117084
ZINC000006445719
ZINC000104246724

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Available files

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