Vitas-M small molecule compound
4-[(3aS,4R,9bR)-6-methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Catalog ID
STL193654
SMILES Cc1ccc(c2c1N[C@@H](c1ccc(cc1)C(=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 C20H18N2O4 MW 350.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4/c1-11-5-10-16(22(25)26)17-14-3-2-4-15(14)19(21-18(11)17)12-6-8-13(9-7-12)20(23)24/h2-3,5-10,14-15,19,21H,4H2,1H3,(H,23,24)/t14-,15+,19+/m1/s1InChIKey
FUCGARSSSYZRAC-VCBZYWHSSA-NSynonyms
4((3aS4R9bR)6methyl9nitro3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoicacid
CC1=C2C(=C(C=C1)(N+)(=O)(O))C3C=CCC3C(N2)C4=CC=C(C=C4)C(=O)O
Cc1ccc(c2c1N(C@@H)(c1ccc(cc1)C(=O)O)(C@@H)1(C@H)2C=CC1)(N+)(=O)(O)
InChI=1SC20H18N2O4c11151016(22(25)26)171432415(14)19(2118(11)17)126813(9712)20(23)24h2351014151921H4H21H3(H2324)t1415+19+m1s1
MFCD22391128
ZINC000004199913
ZINC4199913
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