Vitas-M small molecule compound
methyl 4-{(3aS,4R,9bR)-8-[(4-methylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Catalog ID
STL302211
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)S(=O)(=O)Nc1ccc(cc1)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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-17-6-12-20(13-7-17)29-34(31,32)21-14-15-25-24(16-21)22-4-3-5-23(22)26(28-25)18-8-10-19(11-9-18)27(30)33-2/h3-4,6-16,22-23,26,28-29H,5H2,1-2H3/t22-,23+,26+/m1/s1InChIKey
JWRFBVMNCFWSHD-UMFSSWHCSA-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
COC(=O)c1ccc(cc1)(C@@H)1Nc2ccc(cc2(C@H)2(C@@H)1CC=C2)S(=O)(=O)Nc1ccc(cc1)C
InChI=1SC27H26N2O4Sc11761220(13717)2934(3132)2114152524(1621)2243523(22)26(2825)1881019(11918)27(30)332h346162223262829H5H212H3t2223+26+m1s1
methyl4((3aS4R9bR)8((4methylphenyl)sulfamoyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
ZINC000006057151
ZINC6057151
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