Vitas-M small molecule compound

(2E,5E)-2-[(3-chloro-2-methylphenyl)imino]-5-[2-fluoro-4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-4-one

Catalog ID
STK137973
SMILES O=C1N/C(=N\c2cccc(c2C)Cl)/S/C/1=C/c1ccc(cc1F)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 C21H19ClFN3OS MW 415.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFN3OS/c1-13-16(22)5-4-6-18(13)24-21-25-20(27)19(28-21)11-14-7-8-15(12-17(14)23)26-9-2-3-10-26/h4-8,11-12H,2-3,9-10H2,1H3,(H,24,25,27)/b19-11+
InChIKey
ZARUWBAYPRKHIX-YBFXNURJSA-N
Synonyms

(2E5E)2((3CHLORO2METHYLPHENYL)IMINO)5(2FLUORO4(PYRROLIDIN1YL)BENZYLIDENE)13THIAZOLIDIN4ONE
(5E)2(3CHLORO2METHYLANILINO)5((2FLUORO4PYRROLIDIN1YLPHENYL)METHYLIDENE)13THIAZOL4ONE
CC1=C(C=CC=C1Cl)NC2=NC(=O)C(=CC3=C(C=C(C=C3)N4CCCC4)F)S2
InChI=1SC21H19ClFN3OSc11316(22)54618(13)24212520(27)19(2821)11147815(1217(14)23)269231026h481112H23910H21H3(H242527)b1911+
MFCD04364115
O=C1NC(=Nc2cccc(c2C)Cl)SC1=Cc1ccc(cc1F)N1CCCC1
ZINC000004678135
ZINC04678135
ZINC4678135

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Available files

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