Vitas-M small molecule compound
4-{(3aS,4R,9bR)-8-[(3-chloro-4-methylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
Catalog ID
STL222038
SMILES OC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)S(=O)(=O)Nc1ccc(c(c1)Cl)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 C26H23ClN2O4S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4S/c1-15-5-10-18(13-23(15)27)29-34(32,33)19-11-12-24-22(14-19)20-3-2-4-21(20)25(28-24)16-6-8-17(9-7-16)26(30)31/h2-3,5-14,20-21,25,28-29H,4H2,1H3,(H,30,31)/t20-,21+,25+/m1/s1InChIKey
QBVBLWYQYUIBEE-CZSZKKDXSA-NSynonyms
4((3aS4R9bR)8((3chloro4methylphenyl)sulfamoyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoicacid
CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O)Cl
InChI=1SC26H23ClN2O4Sc11551018(1323(15)27)2934(3233)1911122422(1419)2032421(20)25(2824)166817(9716)26(30)31h235142021252829H4H21H3(H3031)t2021+25+m1s1
MFCD24857580
OC(=O)c1ccc(cc1)(C@@H)1Nc2ccc(cc2(C@H)2(C@@H)1CC=C2)S(=O)(=O)Nc1ccc(c(c1)Cl)C
ZINC000014166041
ZINC14166041
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