Vitas-M small molecule compound

6-{[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]sulfonyl}-1-(methylsulfonyl)-1,2,3,4-tetrahydroquinoline

Catalog ID
STK737286
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)C

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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 C21H26N4O7S2 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O7S2/c1-32-17-5-7-20(21(15-17)25(26)27)22-10-12-23(13-11-22)34(30,31)18-6-8-19-16(14-18)4-3-9-24(19)33(2,28)29/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKey
KMSCDYUUOXWRTA-UHFFFAOYSA-N
Synonyms

6((4(4methoxy2nitrophenyl)piperazin1yl)sulfonyl)1(methylsulfonyl)1234tetrahydroquinoline
6(4(4METHOXY2NITROPHENYL)PIPERAZIN1YL)SULFONYL1METHYLSULFONYL34DIHYDRO2HQUINOLINE
COC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)C
InChI=1SC21H26N4O7S2c132175720(21(1517)25(26)27)22101223(131122)34(3031)18681916(1418)43924(19)33(228)29h581415H34913H212H3
MFCD06016504
ZINC000012420107
ZINC12420107

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Available files

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