Vitas-M small molecule compound
(3aS,4R,9bR)-N-(2-methoxy-5-methylphenyl)-4-(2-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Catalog ID
STL222052
SMILES COc1ccc(cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccccc1[N+](=O)[O-])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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-16-10-13-25(34-2)23(14-16)28-35(32,33)17-11-12-22-21(15-17)18-7-5-8-19(18)26(27-22)20-6-3-4-9-24(20)29(30)31/h3-7,9-15,18-19,26-28H,8H2,1-2H3/t18-,19+,26-/m1/s1InChIKey
FGEICFJXYMMLJN-UYXZNNOOSA-NSynonyms
(3aS4R9bR)N(2methoxy5methylphenyl)4(2nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8sulfonamide
CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=CC=C5(N+)(=O)(O)
COc1ccc(cc1NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccccc1(N+)(=O)(O))C
InChI=1SC26H25N3O5Sc116101325(342)23(1416)2835(3233)1711122221(1517)1875819(18)26(2722)20634924(20)29(30)31h3791518192628H8H212H3t1819+26m1s1
MFCD24857594
ZINC000014165956
ZINC14165956
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