Vitas-M small molecule compound

{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}(pyrrolidin-1-yl)methanethione

Catalog ID
STL420214
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)C(=S)N1CCCC1

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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 C20H22FNO2S MW 359.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FNO2S/c1-2-23-19-13-16(20(25)22-11-3-4-12-22)7-10-18(19)24-14-15-5-8-17(21)9-6-15/h5-10,13H,2-4,11-12,14H2,1H3
InChIKey
TYJCVGCALUZVAK-UHFFFAOYSA-N
Synonyms

(3ethoxy4((4fluorobenzyl)oxy)phenyl)(pyrrolidin1yl)methanethione
(3ethoxy4((4fluorophenyl)methoxy)phenyl)pyrrolidin1ylmethanethione
(3ETHOXY4(4FLUOROBENZYLOXY)PHENYL)PYRROLIDIN1YLMETHANETHIONE
CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OCC3=CC=C(C=C3)F
InChI=1SC20H22FNO2Sc1223191316(20(25)2211341222)71018(19)2414155817(21)9615h51013H24111214H21H3
MFCD03044285
ZINC000000920432
ZINC00920432
ZINC920432

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.