Vitas-M small molecule compound
methyl 4-[(3aS,4R,9bR)-6,8-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Catalog ID
STL222082
SMILES COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)C(=O)OC
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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 C22H23NO4 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO4/c1-25-15-11-18-16-5-4-6-17(16)20(23-21(18)19(12-15)26-2)13-7-9-14(10-8-13)22(24)27-3/h4-5,7-12,16-17,20,23H,6H2,1-3H3/t16-,17+,20+/m1/s1InChIKey
KGVKHOAVMFCGOG-UWVAXJGDSA-NSynonyms
COC1=CC(=C2C(=C1)C3C=CCC3C(N2)C4=CC=C(C=C4)C(=O)OC)OC
COc1cc(OC)c2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)C(=O)OC
InChI=1SC22H23NO4c1251511181654617(16)20(2321(18)19(1215)262)137914(10813)22(24)273h4571216172023H6H213H3t1617+20+m1s1
methyl4((3aS4R9bR)68dimethoxy3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
MFCD24857623
ZINC000000871824
ZINC00871824
ZINC871824
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