Vitas-M small molecule compound
(3aS,4R,9bR)-9-chloro-6-methyl-4-[4-(thietan-3-yloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL280632
SMILES Cc1ccc(c2c1N[C@@H](c1ccc(cc1)OC1CSC1)[C@@H]1[C@H]2C=CC1)Cl
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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 C22H22ClNOS MW 383.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNOS/c1-13-5-10-19(23)20-17-3-2-4-18(17)22(24-21(13)20)14-6-8-15(9-7-14)25-16-11-26-12-16/h2-3,5-10,16-18,22,24H,4,11-12H2,1H3/t17-,18+,22+/m1/s1InChIKey
ZSHHPKIRTAAKPX-FGSXEWAUSA-NSynonyms
(3aS4R9bR)9chloro6methyl4(4(thietan3yloxy)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=C2C(=C(C=C1)Cl)C3C=CCC3C(N2)C4=CC=C(C=C4)OC5CSC5
Cc1ccc(c2c1N(C@@H)(c1ccc(cc1)OC1CSC1)(C@@H)1(C@H)2C=CC1)Cl
InChI=1SC22H22ClNOSc11351019(23)201732418(17)22(2421(13)20)146815(9714)251611261216h2351016182224H41112H21H3t1718+22+m1s1
MFCD24850138
ZINC000001075816
ZINC01075816
ZINC1075816
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