Vitas-M small molecule compound
{1,8-dichloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone
Catalog ID
STK331753
SMILES Clc1cc2C3C(Cl)C(CC3C(Nc2c(c1)C(=O)c1ccccc1)c1cccc(c1)[N+](=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 C31H23Cl2N3O5S MW 620.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23Cl2N3O5S/c32-19-14-21-27-22(16-26(28(27)33)42-25-12-5-4-11-24(25)36(40)41)29(18-9-6-10-20(13-18)35(38)39)34-30(21)23(15-19)31(37)17-7-2-1-3-8-17/h1-15,22,26-29,34H,16H2InChIKey
JUUAYDGPGAMICQ-UHFFFAOYSA-NSynonyms
(18dichloro4(3nitrophenyl)2((2nitrophenyl)sulfanyl)233a459bhexahydro1Hcyclopenta(c)quinolin6yl)(phenyl)methanone
(18DICHLORO4(3NITROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLIN6YL)PHENYLMETHANONE
C1C2C(C(C1SC3=CC=CC=C3(N+)(=O)(O))Cl)C4=C(C(=CC(=C4)Cl)C(=O)C5=CC=CC=C5)NC2C6=CC(=CC=C6)(N+)(=O)(O)
Clc1cc2C3C(Cl)C(CC3C(Nc2c(c1)C(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O))Sc1ccccc1(N+)(=O)(O)
InChI=1SC31H23Cl2N3O5Sc321914212722(1626(28(27)33)422512541124(25)36(40)41)29(18961020(1318)35(38)39)3430(21)23(1519)31(37)177213817h11522262934H16H2
MFCD01892197
ZINC000245326392
ZINC000245326400
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.