Vitas-M small molecule compound
(3aS,4R,9bR)-4-[3-(thietan-3-yloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL280646
SMILES C1=C[C@@H]2[C@H](C1)[C@@H](Nc1c2cccc1)c1cccc(c1)OC1CSC1
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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 C21H21NOS MW 335.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NOS/c1-2-10-20-18(7-1)17-8-4-9-19(17)21(22-20)14-5-3-6-15(11-14)23-16-12-24-13-16/h1-8,10-11,16-17,19,21-22H,9,12-13H2/t17-,19-,21-/m0/s1InChIKey
YNTGJDVQAGJDTA-CUWPLCDZSA-NSynonyms
(3aS4R9bR)4(3(thietan3yloxy)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
C1=C(C@@H)2(C@H)(C1)(C@@H)(Nc1c2cccc1)c1cccc(c1)OC1CSC1
C1C=CC2C1C(NC3=CC=CC=C23)C4=CC(=CC=C4)OC5CSC5
InChI=1SC21H21NOSc12102018(71)1784919(17)21(2220)1453615(1114)231612241316h1810111617192122H91213H2t171921m0s1
MFCD24850150
ZINC000004151373
ZINC4151373
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