Vitas-M small molecule compound
methyl 4-{(3aS,4R,9bR)-8-[(2,4-dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Catalog ID
STL222024
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)S(=O)(=O)Nc1ccc(cc1C)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 C28H28N2O4S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4S/c1-17-7-13-25(18(2)15-17)30-35(32,33)21-12-14-26-24(16-21)22-5-4-6-23(22)27(29-26)19-8-10-20(11-9-19)28(31)34-3/h4-5,7-16,22-23,27,29-30H,6H2,1-3H3/t22-,23+,27+/m1/s1InChIKey
XGSIBPMQDCHRDU-KHVXQDHOSA-NSynonyms
CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)OC)C
COC(=O)c1ccc(cc1)(C@@H)1Nc2ccc(cc2(C@H)2(C@@H)1CC=C2)S(=O)(=O)Nc1ccc(cc1C)C
InChI=1SC28H28N2O4Sc11771325(18(2)1517)3035(3233)2112142624(1621)2254623(22)27(2926)1981020(11919)28(31)343h457162223272930H6H213H3t2223+27+m1s1
methyl4((3aS4R9bR)8((24dimethylphenyl)sulfamoyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
MFCD24857566
ZINC000014166037
ZINC14166037
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