Vitas-M small molecule compound

1-chloro-6-methoxy-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline

Catalog ID
STK364342
SMILES COc1cccc2c1NC(c1ccc(cc1)[N+](=O)[O-])C1C2C(Cl)C(C1)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 C25H22ClN3O5S MW 511.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O5S/c1-34-19-7-4-5-16-22-17(24(27-25(16)19)14-9-11-15(12-10-14)28(30)31)13-21(23(22)26)35-20-8-3-2-6-18(20)29(32)33/h2-12,17,21-24,27H,13H2,1H3
InChIKey
LXVFCPQOZQMSBZ-UHFFFAOYSA-N
Synonyms

1CHLORO4(4NITROPHENYL)2((2NITROPHENYL)SULFANYL)6METHOXY233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE
1CHLORO6METHOXY4(4NITROPHENYL)2((2NITROPHENYL)SULFANYL)233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE
1CHLORO6METHOXY4(4NITROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLINE
COC1=CC=CC2=C1NC(C3C2C(C(C3)SC4=CC=CC=C4(N+)(=O)(O))Cl)C5=CC=C(C=C5)(N+)(=O)(O)
COc1cccc2c1NC(c1ccc(cc1)(N+)(=O)(O))C1C2C(Cl)C(C1)Sc1ccccc1(N+)(=O)(O)
InChI=1SC25H22ClN3O5Sc13419745162217(24(2725(16)19)1491115(121014)28(30)31)1321(23(22)26)3520832618(20)29(32)33h21217212427H13H21H3
MFCD01117075
ZINC000239339269
ZINC000239339272

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.