Vitas-M small molecule compound

4-({[(3aS,4R,9bR)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl}amino)benzoic acid

Catalog ID
STL222027
SMILES OC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)[N+](=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 C25H21N3O6S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6S/c29-25(30)16-4-8-17(9-5-16)27-35(33,34)19-12-13-23-22(14-19)20-2-1-3-21(20)24(26-23)15-6-10-18(11-7-15)28(31)32/h1-2,4-14,20-21,24,26-27H,3H2,(H,29,30)/t20-,21+,24+/m1/s1
InChIKey
CAUHZNDABWGTCE-DPLHUUCSSA-N
Synonyms

4((((3aS4R9bR)4(4nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinolin8yl)sulfonyl)amino)benzoicacid
4(((3aS4R9bR)4(4nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinolin8yl)sulfonylamino)benzoicacid
C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC25H21N3O6Sc2925(30)164817(9516)2735(3334)1912132322(1419)2021321(20)24(2623)1561018(11715)28(31)32h124142021242627H3H2(H2930)t2021+24+m1s1
MFCD24857569
OC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)(N+)(=O)(O)
ZINC000014165992
ZINC14165992

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Available files

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