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

Catalog ID
STK549934
SMILES CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)[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 C34H28ClN3O8S MW 674.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28ClN3O8S/c1-2-45-34(40)22-7-3-5-9-27(22)46-33(39)20-13-16-25-23(17-20)30-24(32(36-25)19-11-14-21(15-12-19)37(41)42)18-29(31(30)35)47-28-10-6-4-8-26(28)38(43)44/h3-17,24,29-32,36H,2,18H2,1H3
InChIKey
OCYKIXWOKGZMTB-UHFFFAOYSA-N
Synonyms

(2ETHOXYCARBONYLPHENYL)1CHLORO4(4NITROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE8CARBOXYLATE
2(ethoxycarbonyl)phenyl1chloro4(4nitrophenyl)2((2nitrophenyl)sulfanyl)233a459bhexahydro1Hcyclopenta(c)quinoline8carboxylate
2(ethoxycarbonyl)phenyl1chloro4(4nitrophenyl)2((2nitrophenyl)thio)233a459bhexahydro1Hcyclopenta(c)quinoline8carboxylate
CCOC(=O)C1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)NC(C4C3C(C(C4)SC5=CC=CC=C5(N+)(=O)(O))Cl)C6=CC=C(C=C6)(N+)(=O)(O)
CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)(N+)(=O)(O))Sc1ccccc1(N+)(=O)(O)
InChI=1SC34H28ClN3O8Sc124534(40)22735927(22)4633(39)2013162523(1720)3024(32(3625)19111421(151219)37(41)42)1829(31(30)35)47281064826(28)38(43)44h31724293236H218H21H3
MFCD03677796
ZINC000225147769
ZINC000229864261

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Available files

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