Vitas-M small molecule compound

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

Catalog ID
STL222115
SMILES [O-][N+](=O)c1ccc(cc1)[C@@H]1Nc2c(C)ccc(c2[C@H]2[C@@H]1CC=C2)[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 C19H17N3O4 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4/c1-11-5-10-16(22(25)26)17-14-3-2-4-15(14)19(20-18(11)17)12-6-8-13(9-7-12)21(23)24/h2-3,5-10,14-15,19-20H,4H2,1H3/t14-,15+,19+/m1/s1
InChIKey
QGZNUDOKHNMEFY-VCBZYWHSSA-N
Synonyms

(3aS4R9bR)6methyl9nitro4(4nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
(O)(N+)(=O)c1ccc(cc1)(C@@H)1Nc2c(C)ccc(c2(C@H)2(C@@H)1CC=C2)(N+)(=O)(O)
CC1=C2C(=C(C=C1)(N+)(=O)(O))C3C=CCC3C(N2)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H17N3O4c11151016(22(25)26)171432415(14)19(2018(11)17)126813(9712)21(23)24h2351014151920H4H21H3t1415+19+m1s1
MFCD24857655
ZINC000006275933
ZINC6275933

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Available files

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