Vitas-M small molecule compound
(3aS,4R,9bR)-N-(3-methoxyphenyl)-4-(3-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Catalog ID
STL222031
SMILES COc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cccc(c1)C
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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 C26H26N2O3S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3S/c1-17-6-3-7-18(14-17)26-23-11-5-10-22(23)24-16-21(12-13-25(24)27-26)32(29,30)28-19-8-4-9-20(15-19)31-2/h3-10,12-16,22-23,26-28H,11H2,1-2H3/t22-,23+,26+/m1/s1InChIKey
IIQKVBNNKZPKIC-UMFSSWHCSA-NSynonyms
(3aS4R9bR)N(3methoxyphenyl)4(3methylphenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8sulfonamide
CC1=CC=CC(=C1)C2C3CC=CC3C4=C(N2)C=CC(=C4)S(=O)(=O)NC5=CC(=CC=C5)OC
COc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1cccc(c1)C
InChI=1SC26H26N2O3Sc11763718(1417)26231151022(23)241621(121325(24)2726)32(2930)281984920(1519)312h310121622232628H11H212H3t2223+26+m1s1
MFCD24857573
ZINC000014165970
ZINC14165970
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