Vitas-M small molecule compound
1-{1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}ethanone
Catalog ID
STK378676
SMILES ClC1C(Sc2ccccc2[N+](=O)[O-])CC2C1c1cc(ccc1NC2c1ccccc1F)C(=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 C26H22ClFN2O3S MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClFN2O3S/c1-14(31)15-10-11-20-17(12-15)24-18(26(29-20)16-6-2-3-7-19(16)28)13-23(25(24)27)34-22-9-5-4-8-21(22)30(32)33/h2-12,18,23-26,29H,13H2,1H3InChIKey
RQWJLQMHPALCFV-UHFFFAOYSA-NSynonyms
1(1chloro4(2fluorophenyl)2((2nitrophenyl)sulfanyl)233a459bhexahydro1Hcyclopenta(c)quinolin8yl)ethanone
1(1CHLORO4(2FLUOROPHENYL)2(2NITROPHENYL)SULFANYL233A459BHEXAHYDRO1HCYCLOPENTA(C)QUINOLIN8YL)ETHANONE
CC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4(N+)(=O)(O))Cl)C5=CC=CC=C5F
ClC1C(Sc2ccccc2(N+)(=O)(O))CC2C1c1cc(ccc1NC2c1ccccc1F)C(=O)C
InChI=1SC26H22ClFN2O3Sc114(31)1510112017(1215)2418(26(2920)16623719(16)28)1323(25(24)27)3422954821(22)30(32)33h21218232629H13H21H3
MFCD01825433
ZINC000101178111
ZINC000229865888
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