Vitas-M small molecule compound
methyl 4-[(3aS,4R,9bR)-6-chloro-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Catalog ID
STL222105
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2c(Cl)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 C20H17ClN2O4 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O4/c1-27-20(24)12-7-5-11(6-8-12)18-14-4-2-3-13(14)17-16(23(25)26)10-9-15(21)19(17)22-18/h2-3,5-10,13-14,18,22H,4H2,1H3/t13-,14+,18+/m1/s1InChIKey
PMASITAHIREIJM-GLJUWKHASA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C3CC=CC3C4=C(C=CC(=C4N2)Cl)(N+)(=O)(O)
COC(=O)c1ccc(cc1)(C@@H)1Nc2c(Cl)ccc(c2(C@H)2(C@@H)1CC=C2)(N+)(=O)(O)
InChI=1SC20H17ClN2O4c12720(24)127511(6812)181442313(14)1716(23(25)26)10915(21)19(17)2218h2351013141822H4H21H3t1314+18+m1s1
methyl4((3aS4R9bR)6chloro9nitro3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
MFCD24857645
ZINC000006179986
ZINC06179986
ZINC6179986
Check stock
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