Vitas-M small molecule compound
4-{8-[(phenylsulfanyl)methyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoic acid
Catalog ID
STK112776
SMILES OC(=O)c1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)CSc1ccccc1
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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 C26H23NO2S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)InChIKey
OYQYAHPUBRQEQE-UHFFFAOYSA-NSynonyms
4(8((PHENYLSULFANYL)METHYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
4(8(PHENYLSULFANYLMETHYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN4YL)BENZOICACID
C1C=CC2C1C(NC3=C2C=C(C=C3)CSC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)O
InChI=1SC26H23NO2Sc2826(29)19121018(111319)252284721(22)231517(91424(23)2725)1630205213620h1791521222527H816H2(H2829)
MFCD04127639
ZINC000003644773
ZINC000004168350
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