Vitas-M small molecule compound

{1-chloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}(2-methylpiperidin-1-yl)methanone

Catalog ID
STK549761
SMILES ClC1C(CC2C1c1cc(ccc1NC2c1cccc(c1)[N+](=O)[O-])C(=O)N1CCCCC1C)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 C31H31ClN4O5S MW 607.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31ClN4O5S/c1-18-7-4-5-14-34(18)31(37)20-12-13-24-22(16-20)28-23(30(33-24)19-8-6-9-21(15-19)35(38)39)17-27(29(28)32)42-26-11-3-2-10-25(26)36(40)41/h2-3,6,8-13,15-16,18,23,27-30,33H,4-5,7,14,17H2,1H3
InChIKey
MGRAAYPCKABNEB-UHFFFAOYSA-N
Synonyms

(1chloro4(3nitrophenyl)2((2nitrophenyl)sulfanyl)233a459bhexahydro1Hcyclopenta(c)quinolin8yl)(2methylpiperidin1yl)methanone
(1chloro4(3nitrophenyl)2((2nitrophenyl)thio)233a459bhexahydro1Hcyclopenta(c)quinolin8yl)((S)2methylpiperidin1yl)methanone
(1CHLORO4(3NITROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLIN8YL)(2METHYLPIPERIDIN1YL)METHANONE
CC1CCCCN1C(=O)C2=CC3=C(C=C2)NC(C4C3C(C(C4)SC5=CC=CC=C5(N+)(=O)(O))Cl)C6=CC(=CC=C6)(N+)(=O)(O)
ClC1C(CC2C1c1cc(ccc1NC2c1cccc(c1)(N+)(=O)(O))C(=O)N1CCCCC1C)Sc1ccccc1(N+)(=O)(O)
InChI=1SC31H31ClN4O5Sc1187451434(18)31(37)2012132422(1620)2823(30(3324)1986921(1519)35(38)39)1727(29(28)32)422611321025(26)36(40)41h23681315161823273033H4571417H21H3
MFCD03191358
ZINC000229886292
ZINC000245326859

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Available files

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