Vitas-M small molecule compound
4-{(3aS,4R,9bR)-8-[(3-methylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
Catalog ID
STK122704
SMILES Cc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)C(=O)O
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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 C26H24N2O4S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O4S/c1-16-4-2-5-19(14-16)28-33(31,32)20-12-13-24-23(15-20)21-6-3-7-22(21)25(27-24)17-8-10-18(11-9-17)26(29)30/h2-6,8-15,21-22,25,27-28H,7H2,1H3,(H,29,30)/t21-,22+,25+/m1/s1InChIKey
HRSRIHYHMPVJRL-SLSDLSHTSA-NSynonyms
4((3AS4R9BR)8((3METHYLPHENYL)SULFAMOYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O
Cc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)C(=O)O
InChI=1SC26H24N2O4Sc11642519(1416)2833(3132)2012132423(1520)2163722(21)25(2724)1781018(11917)26(29)30h268152122252728H7H21H3(H2930)t2122+25+m1s1
MFCD24857407
ZINC000014165941
ZINC14165941
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