Vitas-M small molecule compound
(3aS,4R,9bR)-4-[4-(morpholin-4-ylsulfonyl)phenyl]-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STK008777
SMILES [O-][N+](=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)S(=O)(=O)N1CCOCC1
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c26-25(27)16-6-9-21-20(14-16)18-2-1-3-19(18)22(23-21)15-4-7-17(8-5-15)31(28,29)24-10-12-30-13-11-24/h1-2,4-9,14,18-19,22-23H,3,10-13H2/t18-,19+,22+/m1/s1InChIKey
AADFPGDAPCFCEB-DXIQSLLYSA-NSynonyms
(3AS4R9BR)4(4(MORPHOLIN4YLSULFONYL)PHENYL)8NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
(O)(N+)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)S(=O)(=O)N1CCOCC1
4(4((3aS4R9bR)8nitro3a459btetrahydro3Hcyclopenta(c)quinolin4yl)phenyl)sulfonylmorpholine
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3C4CC=CC4C5=C(N3)C=CC(=C5)(N+)(=O)(O)
InChI=1SC22H23N3O5Sc2625(27)16692120(1416)1821319(18)22(2321)154717(8515)31(2829)24101230131124h12491418192223H31013H2t1819+22+m1s1
MFCD13368272
STK008777
ZINC000004088962
ZINC04088962
ZINC4088962
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