Vitas-M small molecule compound

(3aS,4R,9bR)-4-(2-chloro-5-nitrophenyl)-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Catalog ID
STL222114
SMILES COc1cc(cc2c1N[C@@H](c1cc(ccc1Cl)[N+](=O)[O-])[C@@H]1[C@H]2C=CC1)[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 C19H16ClN3O5 MW 401.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O5/c1-28-17-9-11(23(26)27)8-14-12-3-2-4-13(12)18(21-19(14)17)15-7-10(22(24)25)5-6-16(15)20/h2-3,5-9,12-13,18,21H,4H2,1H3/t12-,13+,18-/m1/s1
InChIKey
XBYNYXOFLODSKE-FHSNZYRGSA-N
Synonyms

(3aS4R9bR)4(2chloro5nitrophenyl)6methoxy8nitro3a459btetrahydro3Hcyclopenta(c)quinoline
COC1=C2C(=CC(=C1)(N+)(=O)(O))C3C=CCC3C(N2)C4=C(C=CC(=C4)(N+)(=O)(O))Cl
COc1cc(cc2c1N(C@@H)(c1cc(ccc1Cl)(N+)(=O)(O))(C@@H)1(C@H)2C=CC1)(N+)(=O)(O)
InChI=1SC19H16ClN3O5c12817911(23(26)27)8141232413(12)18(2119(14)17)15710(22(24)25)5616(15)20h235912131821H4H21H3t1213+18m1s1
MFCD24857654
ZINC000005738364
ZINC05738364
ZINC5738364

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Available files

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