Vitas-M small molecule compound

(3aS,4R,9bR)-4-(anthracen-9-yl)-6-methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Catalog ID
STL222119
SMILES Cc1ccc(c2c1N[C@H]([C@@H]1[C@H]2C=CC1)c1c2ccccc2cc2c1cccc2)[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 C27H22N2O2 MW 406.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O2/c1-16-13-14-23(29(30)31)25-21-11-6-12-22(21)27(28-26(16)25)24-19-9-4-2-7-17(19)15-18-8-3-5-10-20(18)24/h2-11,13-15,21-22,27-28H,12H2,1H3/t21-,22+,27-/m1/s1
InChIKey
HCYIVZMKLCIMFT-UMTXDNHDSA-N
Synonyms

(3aS4R9bR)4(anthracen9yl)6methyl9nitro3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)4anthracen9yl6methyl9nitro3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=C2C(=C(C=C1)(N+)(=O)(O))C3C=CCC3C(N2)C4=C5C=CC=CC5=CC6=CC=CC=C64
Cc1ccc(c2c1N(C@H)((C@@H)1(C@H)2C=CC1)c1c2ccccc2cc2c1cccc2)(N+)(=O)(O)
InChI=1SC27H22N2O2c116131423(29(30)31)25211161222(21)27(2826(16)25)2419942717(19)15188351020(18)24h211131521222728H12H21H3t2122+27m1s1
MFCD24857659
ZINC000100976677
ZINC100976677

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Available files

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