Vitas-M small molecule compound
4-[(3aS,4R,9bR)-8-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl benzoate
Catalog ID
STL086543
SMILES Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)OC(=O)c1ccccc1
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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 C25H20INO2 MW 493.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20INO2/c26-18-11-14-23-22(15-18)20-7-4-8-21(20)24(27-23)16-9-12-19(13-10-16)29-25(28)17-5-2-1-3-6-17/h1-7,9-15,20-21,24,27H,8H2/t20-,21+,24+/m1/s1InChIKey
UWYLVCMDQQZFDW-DPLHUUCSSA-NSynonyms
(4((3aS4R9bR)8iodo3a459btetrahydro3Hcyclopenta(c)quinolin4yl)phenyl)benzoate
4((3aS4R9bR)8iodo3a459btetrahydro3Hcyclopenta(c)quinolin4yl)phenylbenzoate
C1C=CC2C1C(NC3=C2C=C(C=C3)I)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5
Ic1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)OC(=O)c1ccccc1
InChI=1SC25H20INO2c261811142322(1518)2074821(20)24(2723)1691219(131016)2925(28)175213617h1791520212427H8H2t2021+24+m1s1
MFCD18249837
ZINC000014165822
ZINC14165822
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