Vitas-M small molecule compound
7-(3-nitrophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid
Catalog ID
STK701366
SMILES OC(=O)c1cc2C3C=CCC3C(N3c2c(c1)C1C=CCC1C3)c1cccc(c1)[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 C25H22N2O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4/c28-25(29)16-11-21-18-7-2-5-15(18)13-26-23(14-4-1-6-17(10-14)27(30)31)20-9-3-8-19(20)22(12-16)24(21)26/h1-4,6-8,10-12,15,18-20,23H,5,9,13H2,(H,28,29)InChIKey
IXGVBQGFTCJTJG-UHFFFAOYSA-NSynonyms
7(3nitrophenyl)3b66a799a1012aoctahydrocyclopenta(45)pyrido(321ij)cyclopenta(c)quinoline2carboxylicacid
7(3nitrophenyl)3b66a799a1012aoctahydrocyclopenta(c)cyclopenta(45)pyrido(321ij)quinoline2carboxylicacid
C1C=CC2C1CN3C(C4CC=CC4C5=CC(=CC2=C53)C(=O)O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC25H22N2O4c2825(29)1611211872515(18)132623(1441617(1014)27(30)31)2093819(20)22(1216)24(21)26h1468101215182023H5913H2(H2829)
MFCD00700925
OC(=O)c1cc2C3C=CCC3C(N3c2c(c1)C1C=CCC1C3)c1cccc(c1)(N+)(=O)(O)
ZINC000101114381
ZINC000245231706
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