Vitas-M small molecule compound

1-cyclopropyl-7-(3-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Catalog ID
STK525003
SMILES CC1NCCN(C1)c1cc2c(cc1[N+](=O)[O-])c(=O)c(cn2C1CC1)C(=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 C18H20N4O5 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O5/c1-10-8-20(5-4-19-10)15-7-14-12(6-16(15)22(26)27)17(23)13(18(24)25)9-21(14)11-2-3-11/h6-7,9-11,19H,2-5,8H2,1H3,(H,24,25)
InChIKey
VNFBEBCTJJHBOE-UHFFFAOYSA-N
Synonyms

1cyclopropyl7(3methylpiperazin1yl)6nitro4oxo14dihydroquinoline3carboxylicacid
1cyclopropyl7(3methylpiperazin1yl)6nitro4oxo14dihydroquinoline3carboxylicacidhydrochloride
1CYCLOPROPYL7(3METHYLPIPERAZIN1YL)6NITRO4OXOQUINOLINE3CARBOXYLICACID
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)(N+)(=O)(O)
CC1NCCN(C1)c1cc2c(cc1(N+)(=O)(O))c(=O)c(cn2C1CC1)C(=O)O
CC1NCCN(C1)c1cc2c(cc1(N+)(=O)(O))c(=O)c(cn2C1CC1)C(=O)OCl
InChI=1SC18H20N4O5c110820(541910)1571412(616(15)22(26)27)17(23)13(18(24)25)921(14)112311h6791119H258H21H3(H2425)
MFCD01090596
ZINC000004807946
ZINC000004807948

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Available files

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